
 CHEMBL3401724

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.9310   -0.8339    1.5278 C   0  0  0  0  0
    1.1186    0.5108    1.1944 C   0  0  0  0  0
    0.0619    1.2767    0.6897 C   0  0  0  0  0
   -1.1914    0.6705    0.5320 C   0  0  0  0  0
   -1.3477   -0.6736    0.8587 C   0  0  0  0  0
   -0.3105   -1.4610    1.3603 C   0  0  0  0  0
   -2.6654   -0.9342    0.5769 N   0  0  0  0  0
   -3.2451    0.2329    0.1540 C   0  0  0  0  0
   -2.3754    1.2124    0.0968 N   0  0  0  0  0
   -4.5708    0.3977   -0.1574 N   0  0  0  0  0
   -5.4853   -0.6336   -0.1477 C   0  0  0  0  0
   -5.2102   -1.7857    0.1615 O   0  0  0  0  0
   -6.8905   -0.2697   -0.5558 C   0  0  0  0  0
   -7.9936   -1.0729   -0.2000 C   0  0  0  0  0
   -9.2839   -0.6856   -0.6296 C   0  0  0  0  0
   -9.4892    0.4780   -1.3729 C   0  0  0  0  0
   -8.4056    1.2812   -1.7277 C   0  0  0  0  0
   -7.1143    0.8878   -1.3315 C   0  0  0  0  0
   -8.5953    2.5632   -2.5057 C   0  0  0  0  0
   -8.2653    3.6585   -1.7669 F   0  0  0  0  0
   -7.8134    2.6124   -3.6182 F   0  0  0  0  0
   -9.8716    2.7628   -2.9298 F   0  0  0  0  0
   -7.8673   -2.3300    0.6375 C   0  0  0  0  0
   -9.0919   -2.8304    0.9968 F   0  0  0  0  0
   -7.2552   -3.3561   -0.0079 F   0  0  0  0  0
   -7.2208   -2.1306    1.8166 F   0  0  0  0  0
    1.7673   -1.4031    1.9285 H   0  0  0  0  0
    2.0934    0.9731    1.3356 H   0  0  0  0  0
    0.1973    2.3221    0.4326 H   0  0  0  0  0
   -0.4532   -2.5056    1.6191 H   0  0  0  0  0
   -3.1626   -1.8091    0.6914 H   0  0  0  0  0
   -4.8013    1.3516   -0.3734 H   0  0  0  0  0
  -10.1524   -1.2948   -0.3736 H   0  0  0  0  0
  -10.5009    0.7495   -1.6731 H   0  0  0  0  0
   -6.2878    1.5108   -1.6707 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 29  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 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 32  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 23  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 35  1  0  0  0
 19 22  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401724

>  <PubChem CID>
118728643

>  <Formula>
C16H9F6N3O

>  <Molecular Weight>
373.258000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-2,5-bis(trifluoromethyl)benzamide

>  <XlogP>
4.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C16H9F6N3O/c17-15(18,19)8-5-6-10(16(20,21)22)9(7-8)13(26)25-14-23-11-3-1-2-4-12(11)24-14/h1-7H,(H2,23,24,25,26)

>  <InChI Key>
SXMYCDSBTBKQFW-UHFFFAOYSA-N

