
 CHEMBL486569

 29 31  0  0  0  0  0  0  0  0999 V2000
   -5.0424    2.9121    4.6753 C   0  0  0  0  0
   -6.1148    3.0762    3.7943 C   0  0  0  0  0
   -6.1305    2.4264    2.5534 C   0  0  0  0  0
   -5.0537    1.5935    2.2174 C   0  0  0  0  0
   -4.0055    1.4420    3.1199 C   0  0  0  0  0
   -3.9549    2.0908    4.3548 C   0  0  0  0  0
   -3.1627    0.5567    2.5031 N   0  0  0  0  0
   -3.7263    0.1925    1.3080 C   0  0  0  0  0
   -4.8475    0.8370    1.0876 N   0  0  0  0  0
   -3.2099   -0.7564    0.4655 N   0  0  0  0  0
   -2.1107   -1.5187    0.7946 C   0  0  0  0  0
   -1.4100   -1.3263    1.7889 O   0  0  0  0  0
   -1.7790   -2.6460   -0.1303 C   0  0  0  0  0
   -0.5043   -3.2260   -0.0338 C   0  0  0  0  0
   -0.1458   -4.2975   -0.8576 C   0  0  0  0  0
   -1.0615   -4.7971   -1.7800 C   0  0  0  0  0
   -2.3354   -4.2412   -1.8780 C   0  0  0  0  0
   -2.6985   -3.1719   -1.0509 C   0  0  0  0  0
   -0.6241   -6.1140   -2.7954 Cl  0  0  0  0  0
   -5.0551    3.4285    5.6332 H   0  0  0  0  0
   -6.9510    3.7125    4.0743 H   0  0  0  0  0
   -6.9614    2.5456    1.8673 H   0  0  0  0  0
   -3.1251    1.9585    5.0403 H   0  0  0  0  0
   -2.2947    0.1759    2.8582 H   0  0  0  0  0
   -3.7438   -0.8897   -0.3797 H   0  0  0  0  0
    0.2172   -2.8486    0.6894 H   0  0  0  0  0
    0.8445   -4.7372   -0.7696 H   0  0  0  0  0
   -3.0552   -4.6420   -2.5881 H   0  0  0  0  0
   -3.7130   -2.7942   -1.1318 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  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 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 25  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 26  1  0  0  0
 15 16  2  0  0  0
 15 27  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL486569

>  <PubChem CID>
2094705

>  <Formula>
C14H10ClN3O

>  <Molecular Weight>
271.704000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-4-chlorobenzamide

>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,(H2,16,17,18,19)

>  <InChI Key>
CERLGXAGGNYXLC-UHFFFAOYSA-N

