
 CHEMBL308863

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.2477    0.5016   -2.3831 C   0  0  0  0  0
    3.6603    0.4698   -0.9287 C   0  0  0  0  0
    3.9579    1.6669   -0.2369 C   0  0  0  0  0
    4.3137    1.5922    1.1161 C   0  0  0  0  0
    4.3782    0.3645    1.7762 C   0  0  0  0  0
    4.0898   -0.8237    1.0992 C   0  0  0  0  0
    3.7129   -0.7775   -0.2534 C   0  0  0  0  0
    3.3285   -1.8497   -1.0227 O   0  0  0  0  0
    3.8032   -3.1389   -0.6640 C   0  0  0  0  0
    4.0524   -2.0103    1.7854 O   0  0  0  0  0
    5.2279   -2.2687    2.5510 C   0  0  0  0  0
    3.8226    2.9132   -0.8978 N   0  0  0  0  0
    4.4454    4.0672   -0.5874 C   0  0  0  0  0
    3.9585    5.2828   -0.6674 N   0  0  0  0  0
    4.9881    6.1189   -0.3129 C   0  0  0  0  0
    6.1273    5.4006   -0.0380 C   0  0  0  0  0
    5.7695    4.0975   -0.2335 N   0  0  0  0  0
    3.5681    1.4183   -2.8867 H   0  0  0  0  0
    2.1591    0.4224   -2.4621 H   0  0  0  0  0
    3.7116   -0.3202   -2.9388 H   0  0  0  0  0
    4.4856    2.4972    1.6945 H   0  0  0  0  0
    4.5985    0.3607    2.8396 H   0  0  0  0  0
    3.1965   -3.5668    0.1394 H   0  0  0  0  0
    4.8686   -3.1295   -0.4111 H   0  0  0  0  0
    3.6833   -3.7883   -1.5373 H   0  0  0  0  0
    6.1372   -2.0533    1.9791 H   0  0  0  0  0
    5.2325   -3.3337    2.8006 H   0  0  0  0  0
    5.2164   -1.7079    3.4904 H   0  0  0  0  0
    2.8633    3.0448   -1.2154 H   0  0  0  0  0
    4.8541    7.1927   -0.2854 H   0  0  0  0  0
    7.1253    5.6939    0.2534 H   0  0  0  0  0
    6.3594    3.2814   -0.1614 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL308863

>  <PubChem CID>
10609673

>  <Formula>
C12H15N3O2

>  <Molecular Weight>
233.271000

>  <IUPAC Name>
N-(3,4-dimethoxy-2-methylphenyl)-1H-imidazol-2-amine

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC(=C1OC)OC)NC2=NC=CN2

>  <Isomeric SMILES>
CC1=C(C=CC(=C1OC)OC)NC2=NC=CN2

>  <InChI Std. ID>
InChI=1S/C12H15N3O2/c1-8-9(15-12-13-6-7-14-12)4-5-10(16-2)11(8)17-3/h4-7H,1-3H3,(H2,13,14,15)

>  <InChI Key>
AMBHHYSUKMHFDB-UHFFFAOYSA-N

