
 CHEMBL3401715

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.4040   -0.3979    3.0087 C   0  0  0  0  0
    1.6869    0.4546    4.0706 C   0  0  0  0  0
    2.9612    1.0019    4.1973 C   0  0  0  0  0
    3.9609    0.7117    3.2579 C   0  0  0  0  0
    3.6882   -0.1518    2.1801 C   0  0  0  0  0
    2.3990   -0.7098    2.0767 C   0  0  0  0  0
    4.7435   -0.5224    1.1810 C   0  0  0  0  0
    5.9292   -0.5244    1.5009 O   0  0  0  0  0
    4.3019   -0.8858   -0.0797 N   0  0  0  0  0
    5.1721   -1.2830   -1.0631 C   0  0  0  0  0
    4.8129   -1.7939   -2.2183 N   0  0  0  0  0
    5.9942   -2.0767   -2.8693 C   0  0  0  0  0
    6.2136   -2.6805   -4.1168 C   0  0  0  0  0
    7.5316   -2.8432   -4.5631 C   0  0  0  0  0
    8.6110   -2.4057   -3.7887 C   0  0  0  0  0
    8.4133   -1.8097   -2.5381 C   0  0  0  0  0
    7.0916   -1.6779   -2.1114 C   0  0  0  0  0
    6.5371   -1.1928   -0.9604 N   0  0  0  0  0
    5.4750    1.5136    3.5016 Cl  0  0  0  0  0
    0.4109   -0.8326    2.9129 H   0  0  0  0  0
    0.9181    0.6906    4.8028 H   0  0  0  0  0
    3.1730    1.6639    5.0341 H   0  0  0  0  0
    2.1454   -1.4186    1.2939 H   0  0  0  0  0
    3.3281   -0.9253   -0.3413 H   0  0  0  0  0
    5.3744   -3.0161   -4.7134 H   0  0  0  0  0
    7.7165   -3.3151   -5.5238 H   0  0  0  0  0
    9.6249   -2.5354   -4.1624 H   0  0  0  0  0
    9.2485   -1.4755   -1.9324 H   0  0  0  0  0
    7.0171   -0.8350   -0.1428 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  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 24  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 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 16 17  2  0  0  0
 16 28  1  0  0  0
 17 18  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401715

>  <PubChem CID>
854207

>  <Formula>
C14H10ClN3O

>  <Molecular Weight>
271.704000

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

>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

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

>  <InChI Key>
PPEVCDLGANDEIR-UHFFFAOYSA-N

