
 CHEMBL3715676

 46 49  0  0  0  0  0  0  0  0999 V2000
   -0.1056   -1.8953    0.1946 C   0  0  0  0  0
   -1.0078   -1.4196   -0.7414 C   0  0  0  0  0
   -0.8328   -0.1491   -1.2953 C   0  0  0  0  0
    0.2589    0.6681   -0.9522 C   0  0  0  0  0
    1.2378    0.1288   -0.0949 C   0  0  0  0  0
    1.0074   -1.1240    0.5211 C   0  0  0  0  0
    2.5344    0.8334    0.1865 C   0  0  0  0  0
    2.5735    2.0602    0.2005 O   0  0  0  0  0
    3.6054   -0.0302    0.3738 N   0  0  0  0  0
    4.9552    0.2712    0.6379 C   0  0  0  0  0
    5.4720    1.5606    0.7037 C   0  0  0  0  0
    6.8418    1.7553    0.9356 C   0  0  0  0  0
    7.6931    0.6647    1.1148 C   0  0  0  0  0
    7.1864   -0.6394    1.0666 C   0  0  0  0  0
    5.8146   -0.8203    0.8273 C   0  0  0  0  0
    8.0729   -1.8415    1.2757 C   0  0  0  0  0
    7.7751   -2.5104    2.4245 F   0  0  0  0  0
    7.9518   -2.7570    0.2735 F   0  0  0  0  0
    9.3988   -1.5422    1.3491 F   0  0  0  0  0
    0.3582    1.9963   -1.4568 N   0  0  0  0  0
   -0.7073    2.7485   -1.9329 C   0  0  0  0  0
   -1.8760    2.3674   -1.9965 O   0  0  0  0  0
   -0.4507    4.1504   -2.3320 C   0  0  0  0  0
    0.8059    4.6138   -2.7547 C   0  0  0  0  0
    0.9222    5.9403   -3.1755 C   0  0  0  0  0
   -0.1394    6.8480   -3.1927 C   0  0  0  0  0
   -1.3797    6.3762   -2.7621 C   0  0  0  0  0
   -1.5356    5.0539   -2.3454 C   0  0  0  0  0
    2.2385    6.0691   -3.5424 N   0  0  0  0  0
    2.8541    4.8683   -3.3371 C   0  0  0  0  0
    2.0216    3.9719   -2.8600 N   0  0  0  0  0
   -0.2631   -2.8632    0.6626 H   0  0  0  0  0
   -1.8677   -2.0181   -1.0333 H   0  0  0  0  0
   -1.5721    0.1755   -2.0226 H   0  0  0  0  0
    1.6838   -1.5102    1.2802 H   0  0  0  0  0
    3.4181   -1.0144    0.2448 H   0  0  0  0  0
    4.8435    2.4335    0.5631 H   0  0  0  0  0
    7.2392    2.7664    0.9711 H   0  0  0  0  0
    8.7534    0.8379    1.2905 H   0  0  0  0  0
    5.4237   -1.8366    0.7957 H   0  0  0  0  0
    1.2363    2.4920   -1.2766 H   0  0  0  0  0
   -0.0175    7.8729   -3.5305 H   0  0  0  0  0
   -2.2410    7.0423   -2.7601 H   0  0  0  0  0
   -2.5211    4.7140   -2.0287 H   0  0  0  0  0
    2.6715    6.9044   -3.9102 H   0  0  0  0  0
    3.9020    4.7098   -3.5555 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 35  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 40  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 31  1  0  0  0
 24 25  1  0  0  0
 25 29  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 42  1  0  0  0
 27 28  2  0  0  0
 27 43  1  0  0  0
 28 44  1  0  0  0
 29 30  1  0  0  0
 29 45  1  0  0  0
 30 31  2  0  0  0
 30 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3715676

>  <PubChem CID>
118037864

>  <Formula>
C22H15F3N4O2

>  <Molecular Weight>
424.383000

>  <IUPAC Name>
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-4-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=C4C(=CC=C3)NC=N4

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=C4C(=CC=C3)NC=N4

>  <InChI Std. ID>
InChI=1S/C22H15F3N4O2/c23-22(24,25)13-5-3-6-14(11-13)28-20(30)15-7-1-2-9-17(15)29-21(31)16-8-4-10-18-19(16)27-12-26-18/h1-12H,(H,26,27)(H,28,30)(H,29,31)

>  <InChI Key>
AZCSFLKUENJDTO-UHFFFAOYSA-N

