
 CHEMBL3401720

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.1943    0.5868    0.9280 C   0  0  0  0  0
    1.0677    1.9570    0.6833 C   0  0  0  0  0
   -0.1557    2.5033    0.2744 C   0  0  0  0  0
   -1.2582    1.6478    0.1285 C   0  0  0  0  0
   -1.1026    0.2894    0.3865 C   0  0  0  0  0
    0.1079   -0.2839    0.7801 C   0  0  0  0  0
   -2.3512   -0.2322    0.1774 N   0  0  0  0  0
   -3.1928    0.7952   -0.1642 C   0  0  0  0  0
   -2.5522    1.9382   -0.2333 N   0  0  0  0  0
   -4.5386    0.6561   -0.3859 N   0  0  0  0  0
   -5.1979   -0.5409   -0.2061 C   0  0  0  0  0
   -4.6441   -1.5826    0.1450 O   0  0  0  0  0
   -6.6790   -0.5404   -0.4375 C   0  0  0  0  0
   -7.3590    0.5027   -1.0851 C   0  0  0  0  0
   -8.7526    0.4393   -1.2852 C   0  0  0  0  0
   -9.4564   -0.6880   -0.8364 C   0  0  0  0  0
   -8.7878   -1.7300   -0.1972 C   0  0  0  0  0
   -7.4082   -1.6555    0.0010 C   0  0  0  0  0
   -9.4932    1.5569   -1.9818 C   0  0  0  0  0
  -10.0987    1.1442   -3.1282 F   0  0  0  0  0
  -10.4759    2.0920   -1.2069 F   0  0  0  0  0
   -8.6889    2.5976   -2.3361 F   0  0  0  0  0
    2.1564    0.1888    1.2448 H   0  0  0  0  0
    1.9265    2.6108    0.8150 H   0  0  0  0  0
   -0.2623    3.5648    0.0859 H   0  0  0  0  0
    0.2054   -1.3464    0.9739 H   0  0  0  0  0
   -2.6499   -1.1931    0.2920 H   0  0  0  0  0
   -5.0043    1.5235   -0.6026 H   0  0  0  0  0
   -6.8287    1.3718   -1.4653 H   0  0  0  0  0
  -10.5332   -0.7581   -0.9901 H   0  0  0  0  0
   -9.3382   -2.6034    0.1461 H   0  0  0  0  0
   -6.9021   -2.4800    0.5016 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
 18 32  1  0  0  0
 19 22  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401720

>  <PubChem CID>
2480794

>  <Formula>
C15H10F3N3O

>  <Molecular Weight>
305.260000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-3-(trifluoromethyl)benzamide

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C15H10F3N3O/c16-15(17,18)10-5-3-4-9(8-10)13(22)21-14-19-11-6-1-2-7-12(11)20-14/h1-8H,(H2,19,20,21,22)

>  <InChI Key>
JHCZNDKMDBOVJD-UHFFFAOYSA-N

