
 CHEMBL1578123

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2413   -5.8800   -3.3527 C   0  0  0  0  0
   -0.0828   -5.5427   -4.0553 C   0  0  0  0  0
   -0.5599   -4.8731   -2.7356 C   0  0  0  0  0
    0.4992   -5.7521   -2.0133 C   0  0  0  0  0
   -0.4184   -3.3270   -2.6208 C   0  0  0  0  0
    0.4999   -2.7655   -2.0057 O   0  0  0  0  0
   -1.3611   -2.4973   -3.1920 N   0  0  0  0  0
   -2.4247   -2.9014   -3.9511 C   0  0  0  0  0
   -2.7472   -4.1155   -4.3267 N   0  0  0  0  0
   -3.8915   -3.9919   -5.0718 C   0  0  0  0  0
   -4.6543   -4.9766   -5.7139 C   0  0  0  0  0
   -5.8036   -4.5842   -6.4103 C   0  0  0  0  0
   -6.1817   -3.2399   -6.4668 C   0  0  0  0  0
   -5.4270   -2.2416   -5.8376 C   0  0  0  0  0
   -4.2863   -2.6626   -5.1512 C   0  0  0  0  0
   -3.3282   -1.9885   -4.4381 N   0  0  0  0  0
    1.6547   -6.8670   -3.5733 H   0  0  0  0  0
    2.0217   -5.1252   -3.4981 H   0  0  0  0  0
   -0.6752   -6.4213   -4.3375 H   0  0  0  0  0
    0.0125   -4.8880   -4.9265 H   0  0  0  0  0
   -1.5658   -5.1901   -2.4270 H   0  0  0  0  0
    1.0651   -5.2773   -1.2077 H   0  0  0  0  0
    0.0953   -6.7014   -1.6414 H   0  0  0  0  0
   -1.2004   -1.5159   -3.0178 H   0  0  0  0  0
   -4.3538   -6.0170   -5.6636 H   0  0  0  0  0
   -6.4068   -5.3373   -6.9117 H   0  0  0  0  0
   -7.0824   -2.9632   -7.0122 H   0  0  0  0  0
   -5.7236   -1.1995   -5.8831 H   0  0  0  0  0
   -3.2988   -0.9924   -4.2865 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 21  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 16 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1578123

>  <PubChem CID>
2081314

>  <Formula>
C12H13N3O

>  <Molecular Weight>
215.256000

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

>  <XlogP>
2.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(C1)C(=O)NC2=NC3=CC=CC=C3N2

>  <Isomeric SMILES>
C1CC(C1)C(=O)NC2=NC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C12H13N3O/c16-11(8-4-3-5-8)15-12-13-9-6-1-2-7-10(9)14-12/h1-2,6-8H,3-5H2,(H2,13,14,15,16)

>  <InChI Key>
CVHFVTMORZHZPZ-UHFFFAOYSA-N

