
 CHEMBL3401729

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.7403   -4.3140   -2.0443 C   0  0  0  0  0
    1.7479   -3.9702   -0.9538 C   0  0  0  0  0
    1.6272   -2.5162   -0.5027 C   0  0  0  0  0
    0.1978   -2.0862   -0.1529 C   0  0  0  0  0
   -0.8375   -2.5408   -1.1875 C   0  0  0  0  0
   -0.6846   -4.0020   -1.6043 C   0  0  0  0  0
   -0.2056   -2.5545    1.2492 C   0  0  0  0  0
   -0.2603   -3.7438    1.5598 O   0  0  0  0  0
   -0.5104   -1.5171    2.1007 N   0  0  0  0  0
   -0.9001   -1.7166    3.3977 C   0  0  0  0  0
   -1.0866   -0.7531    4.2680 N   0  0  0  0  0
   -1.4134   -1.3879    5.4440 C   0  0  0  0  0
   -1.6698   -0.8479    6.7126 C   0  0  0  0  0
   -1.9745   -1.7210    7.7649 C   0  0  0  0  0
   -2.0362   -3.1009    7.5549 C   0  0  0  0  0
   -1.7860   -3.6593    6.2950 C   0  0  0  0  0
   -1.4682   -2.7665    5.2696 C   0  0  0  0  0
   -1.1383   -2.9483    3.9532 N   0  0  0  0  0
    0.9754   -3.7473   -2.9535 H   0  0  0  0  0
    0.8229   -5.3762   -2.2999 H   0  0  0  0  0
    2.7629   -4.1518   -1.3252 H   0  0  0  0  0
    1.6046   -4.6393   -0.0978 H   0  0  0  0  0
    2.2973   -2.3457    0.3492 H   0  0  0  0  0
    1.9893   -1.8756   -1.3175 H   0  0  0  0  0
    0.1878   -0.9878   -0.1475 H   0  0  0  0  0
   -1.8539   -2.3785   -0.8072 H   0  0  0  0  0
   -0.7335   -1.9136   -2.0824 H   0  0  0  0  0
   -0.9653   -4.6608   -0.7751 H   0  0  0  0  0
   -1.3776   -4.2206   -2.4244 H   0  0  0  0  0
   -0.3944   -0.5482    1.8352 H   0  0  0  0  0
   -1.6193    0.2237    6.8686 H   0  0  0  0  0
   -2.1636   -1.3171    8.7559 H   0  0  0  0  0
   -2.2783   -3.7573    8.3888 H   0  0  0  0  0
   -1.8282   -4.7305    6.1334 H   0  0  0  0  0
   -1.0447   -3.8230    3.4526 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 30  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 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401729

>  <PubChem CID>
768093

>  <Formula>
C14H17N3O

>  <Molecular Weight>
243.310000

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

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(CC1)C(=O)NC2=NC3=CC=CC=C3N2

>  <Isomeric SMILES>
C1CCC(CC1)C(=O)NC2=NC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C14H17N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17,18)

>  <InChI Key>
PJIQFCQXLDJDMT-UHFFFAOYSA-N

