
 SCHEMBL2194109

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.0901    0.3099    0.8150 C   0  0  0  0  0
    2.4350    0.1410    0.1584 C   0  0  0  0  0
    3.1633    1.3181   -0.0954 C   0  0  0  0  0
    4.4737    1.2709   -0.5714 C   0  0  0  0  0
    5.0870    0.0444   -0.7971 C   0  0  0  0  0
    4.3815   -1.1373   -0.5754 C   0  0  0  0  0
    3.0460   -1.0961   -0.1346 C   0  0  0  0  0
    2.3658   -2.3306   -0.0048 N   0  0  0  0  0
    2.8936   -3.5192    0.4804 C   0  0  0  0  0
    2.0159   -4.5067    0.4941 N   0  0  0  0  0
    0.9055   -3.9559   -0.0440 C   0  0  0  0  0
    1.0850   -2.6461   -0.4005 C   0  0  0  0  0
    0.1166   -1.9480   -1.0962 N   0  0  0  0  0
   -1.1342   -2.5775   -1.4020 C   0  0  0  0  0
   -1.9711   -1.9378   -2.0086 O   0  0  0  0  0
   -1.2991   -3.9856   -0.9521 C   0  0  0  0  0
   -0.3065   -4.6270   -0.3113 C   0  0  0  0  0
    1.1227    1.1319    1.5397 H   0  0  0  0  0
    0.7938   -0.5763    1.3828 H   0  0  0  0  0
    0.3252    0.5451    0.0701 H   0  0  0  0  0
    2.7226    2.2931    0.1124 H   0  0  0  0  0
    5.0222    2.1940   -0.7463 H   0  0  0  0  0
    6.1130    0.0095   -1.1572 H   0  0  0  0  0
    4.8837   -2.0764   -0.8019 H   0  0  0  0  0
    3.9098   -3.5887    0.8501 H   0  0  0  0  0
    0.2773   -1.0121   -1.4425 H   0  0  0  0  0
   -2.2454   -4.4579   -1.1822 H   0  0  0  0  0
   -0.4159   -5.6598    0.0050 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 21  1  0  0  0
  4  5  2  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6  7  2  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 13  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>
SCHEMBL2194109

>  <PubChem CID>
58345727

>  <Formula>
C13H11N3O

>  <Molecular Weight>
225.251000

>  <IUPAC Name>
3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
CC1=CC=CC=C1N2C=NC3=C2NC(=O)C=C3

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

>  <InChI Key>
BUHBPCIQWHMHPK-UHFFFAOYSA-N

