
 CHEMBL3401726

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.5823    1.3961   -2.3473 C   0  0  0  0  0
    1.8289    1.9217   -1.0761 C   0  0  0  0  0
    0.9278    1.7105   -0.0244 C   0  0  0  0  0
   -0.2299    0.9583   -0.2716 C   0  0  0  0  0
   -0.4432    0.4412   -1.5457 C   0  0  0  0  0
    0.4349    0.6386   -2.6122 C   0  0  0  0  0
   -1.6295   -0.2324   -1.4352 N   0  0  0  0  0
   -2.0878   -0.0869   -0.1515 C   0  0  0  0  0
   -1.2606    0.6244    0.5768 N   0  0  0  0  0
   -3.2691   -0.6054    0.3140 N   0  0  0  0  0
   -4.1164   -1.3433   -0.4856 C   0  0  0  0  0
   -3.8870   -1.6172   -1.6628 O   0  0  0  0  0
   -5.3985   -1.8036    0.1289 C   0  0  0  0  0
   -5.6232   -1.8214    1.5113 C   0  0  0  0  0
   -6.8585   -2.2443    2.0077 C   0  0  0  0  0
   -7.8713   -2.6627    1.1486 C   0  0  0  0  0
   -7.6391   -2.6638   -0.2228 C   0  0  0  0  0
   -6.4142   -2.2397   -0.7356 C   0  0  0  0  0
   -8.8776   -3.1886   -1.2957 Cl  0  0  0  0  0
   -7.1328   -2.2477    3.7064 Cl  0  0  0  0  0
    2.2966    1.5781   -3.1482 H   0  0  0  0  0
    2.7299    2.5037   -0.8988 H   0  0  0  0  0
    1.1122    2.1179    0.9630 H   0  0  0  0  0
    0.2433    0.2297   -3.5991 H   0  0  0  0  0
   -2.1213   -0.7447   -2.1570 H   0  0  0  0  0
   -3.4762   -0.3526    1.2679 H   0  0  0  0  0
   -4.8555   -1.5302    2.2209 H   0  0  0  0  0
   -8.8302   -2.9890    1.5443 H   0  0  0  0  0
   -6.2515   -2.2454   -1.8119 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  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 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401726

>  <PubChem CID>
27649435

>  <Formula>
C14H9Cl2N3O

>  <Molecular Weight>
306.146000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-3,5-dichlorobenzamide

>  <XlogP>
4.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C14H9Cl2N3O/c15-9-5-8(6-10(16)7-9)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)

>  <InChI Key>
DXHAANNHEQUJDB-UHFFFAOYSA-N

