
 CHEMBL3401716

 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.5946    1.2755   -2.0747 C   0  0  0  0  0
   -3.5297    0.2806   -1.8103 C   0  0  0  0  0
   -3.1102   -0.9878   -1.3972 C   0  0  0  0  0
   -1.7420   -1.2807   -1.2484 C   0  0  0  0  0
   -0.8122   -0.2700   -1.5303 C   0  0  0  0  0
   -1.2349    1.0059   -1.9374 C   0  0  0  0  0
    0.6425   -0.5275   -1.5242 C   0  0  0  0  0
    1.0957   -1.3595   -2.3020 O   0  0  0  0  0
    1.3657    0.2422   -0.6451 N   0  0  0  0  0
    2.7373    0.2252   -0.6282 C   0  0  0  0  0
    3.4800    0.7927    0.2926 N   0  0  0  0  0
    4.7788    0.5130   -0.0695 C   0  0  0  0  0
    5.9802    0.8104    0.5905 C   0  0  0  0  0
    7.1885    0.4230   -0.0049 C   0  0  0  0  0
    7.2018   -0.2268   -1.2420 C   0  0  0  0  0
    6.0133   -0.5396   -1.9123 C   0  0  0  0  0
    4.8241   -0.1715   -1.2796 C   0  0  0  0  0
    3.5070   -0.3674   -1.5966 N   0  0  0  0  0
   -1.3068   -2.6472   -0.7826 C   0  0  0  0  0
   -0.7623   -3.4122   -1.7627 F   0  0  0  0  0
   -0.3965   -2.5908    0.2281 F   0  0  0  0  0
   -2.3450   -3.3833   -0.2843 F   0  0  0  0  0
   -2.9227    2.2580   -2.4094 H   0  0  0  0  0
   -4.5916    0.4867   -1.9325 H   0  0  0  0  0
   -3.8614   -1.7505   -1.1959 H   0  0  0  0  0
   -0.5088    1.7762   -2.1847 H   0  0  0  0  0
    0.9253    0.8004    0.0743 H   0  0  0  0  0
    5.9644    1.3174    1.5483 H   0  0  0  0  0
    8.1265    0.6322    0.5042 H   0  0  0  0  0
    8.1543   -0.5057   -1.6887 H   0  0  0  0  0
    6.0221   -1.0528   -2.8677 H   0  0  0  0  0
    3.1328   -0.8720   -2.3906 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  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 26  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 18  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>
CHEMBL3401716

>  <PubChem CID>
2575752

>  <Formula>
C15H10F3N3O

>  <Molecular Weight>
305.260000

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

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)C(F)(F)F

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

>  <InChI Key>
BTJQQCGRYISLMM-UHFFFAOYSA-N

