
 CHEMBL74544

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.4619   -0.8969    0.1733 C   0  0  0  0  0
    0.2927   -1.6582    0.3180 C   0  0  0  0  0
   -0.9431   -1.0327    0.1138 C   0  0  0  0  0
   -0.9730    0.3159   -0.2223 C   0  0  0  0  0
    0.1780    1.0987   -0.3618 C   0  0  0  0  0
    1.4184    0.4702   -0.1447 C   0  0  0  0  0
    2.6511    1.1494   -0.3109 N   0  0  0  0  0
    2.8397    2.4767   -0.1574 C   0  0  0  0  0
    3.5739    3.2719   -0.8978 N   0  0  0  0  0
    3.5015    4.5053   -0.2998 C   0  0  0  0  0
    2.7302    4.4525    0.8366 C   0  0  0  0  0
    2.3249    3.1499    0.9208 N   0  0  0  0  0
   -2.3077    0.5948   -0.3751 N   0  0  0  0  0
   -3.0090   -0.5502   -0.1213 C   0  0  0  0  0
   -2.2130   -1.5498    0.1812 N   0  0  0  0  0
    2.4229   -1.3841    0.3266 H   0  0  0  0  0
    0.3356   -2.7110    0.5736 H   0  0  0  0  0
    0.1107    2.1384   -0.6635 H   0  0  0  0  0
    3.1536    0.7675   -1.1104 H   0  0  0  0  0
    4.0187    5.3610   -0.7144 H   0  0  0  0  0
    2.4576    5.1947    1.5724 H   0  0  0  0  0
    1.7710    2.7230    1.6482 H   0  0  0  0  0
   -2.7035    1.4863   -0.6357 H   0  0  0  0  0
   -4.0887   -0.5946   -0.1754 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3 15  1  0  0  0
  3  4  2  0  0  0
  4 13  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 14 15  2  0  0  0
 14 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL74544

>  <PubChem CID>
10655607

>  <Formula>
C10H9N5

>  <Molecular Weight>
199.217000

>  <IUPAC Name>
N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC2=C(C=C1NC3=NC=CN3)NC=N2

>  <Isomeric SMILES>
C1=CC2=C(C=C1NC3=NC=CN3)NC=N2

>  <InChI Std. ID>
InChI=1S/C10H9N5/c1-2-8-9(14-6-13-8)5-7(1)15-10-11-3-4-12-10/h1-6H,(H,13,14)(H2,11,12,15)

>  <InChI Key>
NFSIDEIKDWWMOX-UHFFFAOYSA-N

