
 SCHEMBL2192545

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.9878   -0.2160    0.0243 C   0  0  0  0  0
    2.4717   -0.0984    0.0806 C   0  0  0  0  0
    3.2798   -1.1509    0.1254 N   0  0  0  0  0
    4.5210   -0.6356    0.0345 C   0  0  0  0  0
    4.5189    0.7280   -0.0480 C   0  0  0  0  0
    3.1889    1.1030   -0.0269 N   0  0  0  0  0
    2.6982    2.4326   -0.0993 C   0  0  0  0  0
    3.3507    3.3721   -0.9118 C   0  0  0  0  0
    2.8808    4.6853   -0.9785 C   0  0  0  0  0
    1.7665    5.0677   -0.2354 C   0  0  0  0  0
    1.1158    4.1380    0.5729 C   0  0  0  0  0
    1.5762    2.8210    0.6422 C   0  0  0  0  0
    5.7002    1.4490   -0.0532 N   0  0  0  0  0
    6.9574    0.7607   -0.0218 C   0  0  0  0  0
    7.9783    1.4206   -0.0297 O   0  0  0  0  0
    6.9030   -0.7245    0.0293 C   0  0  0  0  0
    5.7250   -1.3700    0.0623 C   0  0  0  0  0
    0.7062   -1.2247   -0.2969 H   0  0  0  0  0
    0.5510    0.4852   -0.6922 H   0  0  0  0  0
    0.5493   -0.0524    1.0125 H   0  0  0  0  0
    4.1850    3.0998   -1.5534 H   0  0  0  0  0
    3.3725    5.4110   -1.6234 H   0  0  0  0  0
    1.4005    6.0909   -0.2894 H   0  0  0  0  0
    0.2502    4.4434    1.1576 H   0  0  0  0  0
    1.0661    2.1430    1.3204 H   0  0  0  0  0
    5.7157    2.4596   -0.0295 H   0  0  0  0  0
    7.8534   -1.2420    0.0504 H   0  0  0  0  0
    5.6776   -2.4535    0.1114 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  6  1  0  0  0
  3  4  1  0  0  0
  4 17  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192545

>  <PubChem CID>
58345718

>  <Formula>
C13H11N3O

>  <Molecular Weight>
225.251000

>  <IUPAC Name>
2-methyl-3-phenyl-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=CC=C3)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=CC=C3)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C13H11N3O/c1-9-14-11-7-8-12(17)15-13(11)16(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)

>  <InChI Key>
NEWMXYKGEVNQEN-UHFFFAOYSA-N

