67636206
  -OEChem-05092420452D

 71 75  0     1  0  0  0  0  0999 V2000
   10.7619   -2.4291    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    4.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.0350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.5630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    4.4378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.6970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2619    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -3.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -4.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2619   -5.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -5.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7869    1.5025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    2.9791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    3.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    0.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    1.5025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    2.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -0.0431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -0.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445    0.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1419   -0.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -2.1736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519    0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    5.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   -0.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519   -0.1601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2249   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719   -2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3819   -0.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.4431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -2.7582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1419   -4.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819   -4.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -5.5641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -5.5641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 16  2  0  0  0  0
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  5 22  1  0  0  0  0
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  6 23  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 41  1  0  0  0  0
 10 12  1  0  0  0  0
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 10 43  1  0  0  0  0
 11 44  1  0  0  0  0
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 12 47  1  0  0  0  0
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 18 21  2  0  0  0  0
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 21 27  1  0  0  0  0
 21 55  1  0  0  0  0
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 31 33  1  0  0  0  0
 31 64  1  0  0  0  0
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 34 67  1  0  0  0  0
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 36 38  2  0  0  0  0
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 37 70  1  0  0  0  0
 38 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67636206

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
782

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sQAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB9AAAHwAQAAAADQzBnwwz0LfJkACoA6dydACCgC2nEqAJmSG4dNiIaLLAnbGUIQholgLIyacciMCOgAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[4-(1H-benzimidazole-2-carbonyl)-1-piperidyl]-2-(2-fluorophenyl)butyl]-N-methyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[4-[1H-benzimidazol-2-yl(oxo)methyl]-1-piperidinyl]-2-(2-fluorophenyl)butyl]-N-methylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[4-(1<I>H</I>-benzimidazole-2-carbonyl)piperidin-1-yl]-2-(2-fluorophenyl)butyl]-<I>N</I>-methylbenzamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[4-(1H-benzimidazole-2-carbonyl)piperidin-1-yl]-2-(2-fluorophenyl)butyl]-N-methylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[4-(1H-benzimidazol-2-ylcarbonyl)piperidin-1-yl]-2-(2-fluorophenyl)butyl]-N-methyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[4-(1H-benzimidazole-2-carbonyl)piperidino]-2-(2-fluorophenyl)butyl]-N-methyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H33FN4O2/c1-35(31(38)23-9-3-2-4-10-23)21-24(25-11-5-6-12-26(25)32)17-20-36-18-15-22(16-19-36)29(37)30-33-27-13-7-8-14-28(27)34-30/h2-14,22,24H,15-21H2,1H3,(H,33,34)

> <PUBCHEM_IUPAC_INCHIKEY>
HJCXIWIUUUJFCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
512.25875447

> <PUBCHEM_MOLECULAR_FORMULA>
C31H33FN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
512.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CC(CCN1CCC(CC1)C(=O)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4F)C(=O)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CC(CCN1CCC(CC1)C(=O)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4F)C(=O)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
69.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
512.25875447

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  14  3
18  20  8
18  21  8
20  26  8
21  27  8
23  25  8
23  30  8
25  31  8
26  28  8
27  28  8
29  34  8
29  35  8
30  32  8
31  33  8
32  33  8
34  36  8
35  37  8
36  38  8
37  38  8
6  19  8
6  23  8
7  19  8
7  25  8

$$$$