
 CHEMBL3401718

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.7616   -0.9544    1.4235 C   0  0  0  0  0
    1.9777   -0.6275    0.6750 N   0  0  0  0  0
    2.9322   -1.6308    0.4982 C   0  0  0  0  0
    2.9073   -2.8204    1.0641 N   0  0  0  0  0
    4.0144   -3.4838    0.5931 C   0  0  0  0  0
    4.4844   -4.7695    0.8915 C   0  0  0  0  0
    5.6231   -5.2402    0.2243 C   0  0  0  0  0
    6.2774   -4.4457   -0.7210 C   0  0  0  0  0
    5.8400   -3.1476   -1.0096 C   0  0  0  0  0
    4.7115   -2.7015   -0.3201 C   0  0  0  0  0
    4.0323   -1.5127   -0.3188 N   0  0  0  0  0
    2.2370    0.6320    0.1225 C   0  0  0  0  0
    3.2814    0.9520   -0.4500 O   0  0  0  0  0
    1.2114    1.6949    0.2340 C   0  0  0  0  0
    1.5683    2.9039    0.8403 C   0  0  0  0  0
    0.6307    3.9281    0.9188 C   0  0  0  0  0
   -0.6499    3.7622    0.3925 C   0  0  0  0  0
   -0.9945    2.5617   -0.2336 C   0  0  0  0  0
   -0.0611    1.5308   -0.3255 C   0  0  0  0  0
    1.0552    5.4210    1.6667 Cl  0  0  0  0  0
    0.3754   -0.0790    1.9514 H   0  0  0  0  0
    0.9557   -1.7338    2.1654 H   0  0  0  0  0
    0.0129   -1.3141    0.7142 H   0  0  0  0  0
    3.9674   -5.3839    1.6218 H   0  0  0  0  0
    5.9958   -6.2388    0.4414 H   0  0  0  0  0
    7.1486   -4.8415   -1.2398 H   0  0  0  0  0
    6.3529   -2.5258   -1.7359 H   0  0  0  0  0
    4.2626   -0.6716   -0.8338 H   0  0  0  0  0
    2.5707    3.0410    1.2386 H   0  0  0  0  0
   -1.3792    4.5671    0.4559 H   0  0  0  0  0
   -1.9893    2.4400   -0.6602 H   0  0  0  0  0
   -0.3254    0.6109   -0.8426 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 12  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 28  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 30  1  0  0  0
 18 19  2  0  0  0
 18 31  1  0  0  0
 19 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401718

>  <PubChem CID>
118728641

>  <Formula>
C15H12ClN3O

>  <Molecular Weight>
285.731000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-3-chloro-N-methylbenzamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CN(C1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C15H12ClN3O/c1-19(14(20)10-5-4-6-11(16)9-10)15-17-12-7-2-3-8-13(12)18-15/h2-9H,1H3,(H,17,18)

>  <InChI Key>
XFKDCTKNUPIIJX-UHFFFAOYSA-N

