51430267
  -OEChem-04272400512D

 57 60  0     1  0  0  0  0  0999 V2000
    4.9355    1.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785    1.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656   -2.5116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -0.8408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -2.4503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5656   -1.6456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5656   -3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0656   -2.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656   -4.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5656   -3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0656   -4.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5656   -1.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0358   -1.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0358   -2.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    0.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -0.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -2.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -1.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -2.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677    2.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    2.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783    3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6213    3.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9105    4.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1856   -1.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907   -2.9791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907   -3.7761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483   -2.2995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9580   -1.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4830   -4.4557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1733   -4.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0406   -3.7761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0406   -2.9791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9580   -4.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483   -4.4557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6026   -1.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3756   -0.2426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5287   -0.4695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8396   -0.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752    0.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0779    1.1460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2423    0.3661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -0.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -3.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668   -0.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668   -2.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1850    3.6272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146    2.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1031    4.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179    4.4989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    1.7925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    1.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    0.5792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 28  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 12  2  0  0  0  0
  5 16  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  2  0  0  0  0
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 18 20  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  2  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
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 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51430267

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
471

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAAAAAACCzhlwYz1rcMFACgASZiZACCiC0hMqAJ2CA+/JiPbqLEuZuXOCrswBPa6CeQQAAAAAAAAAAAQCAAAAAAAACAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-[(1S)-1-(1-piperidyl)ethyl]benzimidazole

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-[(1S)-1-(1-piperidinyl)ethyl]benzimidazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(2-methoxyphenoxy)ethyl]-2-[(1<I>S</I>)-1-piperidin-1-ylethyl]benzimidazole

> <PUBCHEM_IUPAC_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidinoethyl]benzimidazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H29N3O2/c1-18(25-14-8-3-9-15-25)23-24-19-10-4-5-11-20(19)26(23)16-17-28-22-13-7-6-12-21(22)27-2/h4-7,10-13,18H,3,8-9,14-17H2,1-2H3/t18-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BTFIAZMZTSOWBV-SFHVURJKSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
379.22597718

> <PUBCHEM_MOLECULAR_FORMULA>
C23H29N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
379.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3OC)N4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H](C1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3OC)N4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
39.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.22597718

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
14  16  8
14  18  8
16  19  8
18  20  8
19  21  8
20  21  8
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
4  12  8
4  14  8
5  12  8
5  16  8
6  13  6

$$$$