
 CHEMBL7147

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.5314    2.5694   -0.1113 C   0  0  0  0  0
    0.3910    1.8774    0.9005 C   0  0  0  0  0
    1.1833    0.6974    0.3834 C   0  0  0  0  0
    2.5823    0.7786    0.3041 C   0  0  0  0  0
    3.3376   -0.3318   -0.0778 C   0  0  0  0  0
    2.7081   -1.5390   -0.3734 C   0  0  0  0  0
    1.3184   -1.6351   -0.3030 C   0  0  0  0  0
    0.5486   -0.5225    0.0584 C   0  0  0  0  0
   -0.8969   -0.6339    0.0588 C   0  0  0  0  0
   -1.7385    0.3631   -0.3872 C   0  0  0  0  0
   -1.4217    1.6816   -0.9871 C   0  0  0  0  0
   -2.9990   -0.1512   -0.2289 N   0  0  0  0  0
   -2.8762   -1.4258    0.2695 C   0  0  0  0  0
   -1.6094   -1.7376    0.4492 N   0  0  0  0  0
   -3.9563   -2.3035    0.5648 C   0  0  0  0  0
   -3.9600   -3.4805    1.2846 C   0  0  0  0  0
   -5.2184   -4.0300    1.3337 N   0  0  0  0  0
   -5.9739   -3.2135    0.6387 C   0  0  0  0  0
   -5.2566   -2.1560    0.1531 N   0  0  0  0  0
    0.0716    3.2034   -0.7746 H   0  0  0  0  0
   -1.1734    3.2607    0.4506 H   0  0  0  0  0
    1.0769    2.6337    1.3046 H   0  0  0  0  0
   -0.1947    1.5452    1.7687 H   0  0  0  0  0
    3.0959    1.7032    0.5572 H   0  0  0  0  0
    4.4209   -0.2590   -0.1300 H   0  0  0  0  0
    3.2967   -2.4067   -0.6591 H   0  0  0  0  0
    0.8302   -2.5784   -0.5401 H   0  0  0  0  0
   -0.9091    1.5033   -1.9419 H   0  0  0  0  0
   -2.3394    2.2270   -1.2383 H   0  0  0  0  0
   -3.8629    0.3211   -0.4456 H   0  0  0  0  0
   -3.1159   -3.9532    1.7719 H   0  0  0  0  0
   -7.0322   -3.3358    0.4507 H   0  0  0  0  0
   -5.6296   -1.4218   -0.4287 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL7147

>  <PubChem CID>
44263987

>  <Formula>
C15H14N4

>  <Molecular Weight>
250.305000

>  <IUPAC Name>
2-(1H-imidazol-5-yl)-3,4,5,6-tetrahydrobenzo[1,2]cyclohepta[3,4-b]imidazole

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2=CC=CC=C2C3=C(C1)NC(=N3)C4=CN=CN4

>  <Isomeric SMILES>
C1CC2=CC=CC=C2C3=C(C1)NC(=N3)C4=CN=CN4

>  <InChI Std. ID>
InChI=1S/C15H14N4/c1-2-6-11-10(4-1)5-3-7-12-14(11)19-15(18-12)13-8-16-9-17-13/h1-2,4,6,8-9H,3,5,7H2,(H,16,17)(H,18,19)

>  <InChI Key>
AJAWXVSPHHFZPD-UHFFFAOYSA-N

