
 CHEMBL6893

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.3407   -1.3349    0.1609 C   0  0  0  0  0
    1.7222   -0.8053    0.0933 C   0  0  0  0  0
    2.2618    0.4589   -0.0584 C   0  0  0  0  0
    3.6377    0.3876   -0.1080 N   0  0  0  0  0
    3.9578   -0.8876    0.0077 C   0  0  0  0  0
    2.8155   -1.6361    0.1557 N   0  0  0  0  0
    5.3106   -1.4472    0.0113 C   0  0  0  0  0
    6.3866   -0.6468    0.4202 C   0  0  0  0  0
    7.6881   -1.1537    0.4428 C   0  0  0  0  0
    7.9309   -2.4665    0.0457 C   0  0  0  0  0
    6.8746   -3.2707   -0.3770 C   0  0  0  0  0
    5.5712   -2.7648   -0.3946 C   0  0  0  0  0
    1.5553    1.7174   -0.2077 C   0  0  0  0  0
    0.3329    1.9826    0.3996 C   0  0  0  0  0
   -0.3580    3.1450    0.2695 N   0  0  0  0  0
    0.2114    4.1013   -0.4942 C   0  0  0  0  0
    1.4337    3.9522   -1.1273 C   0  0  0  0  0
    2.1119    2.7439   -0.9764 C   0  0  0  0  0
    0.3218   -2.4204    0.0169 H   0  0  0  0  0
   -0.2860   -0.8879   -0.6169 H   0  0  0  0  0
   -0.1048   -1.1213    1.1373 H   0  0  0  0  0
    2.7930   -2.6368    0.2884 H   0  0  0  0  0
    6.2081    0.3825    0.7282 H   0  0  0  0  0
    8.5096   -0.5204    0.7674 H   0  0  0  0  0
    8.9442   -2.8597    0.0582 H   0  0  0  0  0
    7.0664   -4.2904   -0.7014 H   0  0  0  0  0
    4.7737   -3.4089   -0.7535 H   0  0  0  0  0
   -0.1493    1.2594    1.0485 H   0  0  0  0  0
   -0.3564    5.0229   -0.5835 H   0  0  0  0  0
    1.8521    4.7548   -1.7235 H   0  0  0  0  0
    3.0759    2.6012   -1.4605 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL6893

>  <PubChem CID>
10421577

>  <Formula>
C15H13N3

>  <Molecular Weight>
235.290000

>  <IUPAC Name>
3-(5-methyl-2-phenyl-1H-imidazol-4-yl)pyridine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(N=C(N1)C2=CC=CC=C2)C3=CN=CC=C3

>  <Isomeric SMILES>
CC1=C(N=C(N1)C2=CC=CC=C2)C3=CN=CC=C3

>  <InChI Std. ID>
InChI=1S/C15H13N3/c1-11-14(13-8-5-9-16-10-13)18-15(17-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)

>  <InChI Key>
CAQAIFUDUGDPFB-UHFFFAOYSA-N

