60577638
  -OEChem-04192419532D

 47 49  0     0  0  0  0  0  0999 V2000
   14.2619   -4.1611    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619    0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.5718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.9623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.9010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.0350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2619   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -3.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619   -3.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    2.9791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    3.3777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    1.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    1.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    4.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    2.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793   -0.0431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695   -0.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3445    0.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    1.5720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519   -1.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0719   -1.0261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6419   -2.4291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8819   -2.4291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4519   -3.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 18  2  0  0  0  0
  3 21  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 32  1  0  0  0  0
  5 10  2  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  6 33  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  7 40  1  0  0  0  0
  8 15  1  0  0  0  0
  8 21  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60577638

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
499

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHwAQAAAADAjBnwwx0LbJkACoAydydACCgC2lEqAJmaE4dNiIaLLA3ZGUIQholgLIyacYiACOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluoro-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]amino]ethyl]-4-fluorobenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[2-(1<I>H</I>-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluorobenzamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluorobenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluoranyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]ethyl]-4-fluoro-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20FN5O2/c20-14-7-5-13(6-8-14)18(26)21-11-12-23-19(27)22-10-9-17-24-15-3-1-2-4-16(15)25-17/h1-8H,9-12H2,(H,21,26)(H,24,25)(H2,22,23,27)

> <PUBCHEM_IUPAC_INCHIKEY>
ZWDSDTUFTAUJOM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
369.16010306

> <PUBCHEM_MOLECULAR_FORMULA>
C19H20FN5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
369.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)NCCNC(=O)C3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)NCCNC(=O)C3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
98.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
369.16010306

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
12  13  8
12  16  8
13  17  8
16  19  8
17  20  8
19  20  8
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
4  10  8
4  12  8
5  10  8
5  13  8

$$$$