
 CHEMBL3423096

 36 39  0  0  0  0  0  0  0  0999 V2000
   -0.5358   -1.8293    0.8686 C   0  0  0  0  0
    0.1239   -2.2793   -0.4130 C   0  0  0  0  0
    0.5485   -0.9803    0.2542 C   0  0  0  0  0
    1.9027   -0.9043    0.8656 C   0  0  0  0  0
    2.5047   -1.9218    1.1950 O   0  0  0  0  0
    2.3687    0.3782    1.0216 N   0  0  0  0  0
    3.5684    0.6498    1.6189 C   0  0  0  0  0
    3.9788    1.8547    1.9362 N   0  0  0  0  0
    5.1619    1.6643    2.6115 C   0  0  0  0  0
    5.9935    2.5972    3.2459 C   0  0  0  0  0
    7.1453    2.1386    3.8947 C   0  0  0  0  0
    7.4759    0.7799    3.8946 C   0  0  0  0  0
    6.6645   -0.1663    3.2581 C   0  0  0  0  0
    5.5104    0.3167    2.6420 C   0  0  0  0  0
    4.4814   -0.3051    1.9854 N   0  0  0  0  0
   -0.6109   -2.2253   -1.7280 C   0  0  0  0  0
   -1.7830   -2.9660   -1.9391 C   0  0  0  0  0
   -2.4319   -2.9365   -3.1689 C   0  0  0  0  0
   -1.9396   -2.1743   -4.2218 C   0  0  0  0  0
   -0.7772   -1.4347   -4.0405 C   0  0  0  0  0
   -0.1191   -1.4674   -2.8079 C   0  0  0  0  0
   -3.5461   -3.6594   -3.3432 F   0  0  0  0  0
   -1.5525   -1.4554    0.8315 H   0  0  0  0  0
   -0.3057   -2.3828    1.7733 H   0  0  0  0  0
    0.8006   -3.1269   -0.3114 H   0  0  0  0  0
    0.1997   -0.0572   -0.1987 H   0  0  0  0  0
    1.8017    1.1841    0.7984 H   0  0  0  0  0
    5.7290    3.6495    3.2460 H   0  0  0  0  0
    7.7874    2.8491    4.4107 H   0  0  0  0  0
    8.3785    0.4498    4.4051 H   0  0  0  0  0
    6.9159   -1.2213    3.2631 H   0  0  0  0  0
    4.3554   -1.2989    1.8387 H   0  0  0  0  0
   -2.1934   -3.5827   -1.1428 H   0  0  0  0  0
   -2.4619   -2.1699   -5.1728 H   0  0  0  0  0
   -0.3752   -0.8396   -4.8562 H   0  0  0  0  0
    0.8000   -0.8968   -2.6897 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 20 21  2  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3423096

>  <PubChem CID>
118736167

>  <Formula>
C17H14FN3O

>  <Molecular Weight>
295.317000

>  <IUPAC Name>
(1S,2S)-N-(1H-benzimidazol-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(C1C(=O)NC2=NC3=CC=CC=C3N2)C4=CC(=CC=C4)F

>  <Isomeric SMILES>
C1[C@@H]([C@H]1C(=O)NC2=NC3=CC=CC=C3N2)C4=CC(=CC=C4)F

>  <InChI Std. ID>
InChI=1S/C17H14FN3O/c18-11-5-3-4-10(8-11)12-9-13(12)16(22)21-17-19-14-6-1-2-7-15(14)20-17/h1-8,12-13H,9H2,(H2,19,20,21,22)/t12-,13+/m1/s1

>  <InChI Key>
JMGGZIGMGLACDQ-OLZOCXBDSA-N

