
 CHEMBL75322

 27 28  0  0  0  0  0  0  0  0999 V2000
   -0.4447    1.3714    0.8209 C   0  0  0  0  0
    0.9140    1.4788    0.5199 C   0  0  0  0  0
    1.6007    0.3809   -0.0070 C   0  0  0  0  0
    0.9185   -0.8194   -0.2397 C   0  0  0  0  0
   -0.4517   -0.9325    0.0490 C   0  0  0  0  0
   -1.1237    0.1735    0.5878 C   0  0  0  0  0
   -1.1823   -2.2327   -0.2040 C   0  0  0  0  0
   -1.1852   -2.6318   -1.6381 C   0  0  0  0  0
   -0.7294   -3.7639   -2.2791 C   0  0  0  0  0
   -0.9468   -3.6828   -3.6297 N   0  0  0  0  0
   -1.5307   -2.5226   -3.8190 C   0  0  0  0  0
   -1.7003   -1.8497   -2.6435 N   0  0  0  0  0
    3.0484    0.4789   -0.3451 C   0  0  0  0  0
    3.8705    1.2513    0.2908 N   0  0  0  0  0
    3.5668   -0.2564   -1.3683 N   0  0  0  0  0
   -0.9764    2.2246    1.2362 H   0  0  0  0  0
    1.4171    2.4279    0.6813 H   0  0  0  0  0
    1.4566   -1.6789   -0.6360 H   0  0  0  0  0
   -2.1819    0.1106    0.8352 H   0  0  0  0  0
   -2.2214   -2.1559    0.1409 H   0  0  0  0  0
   -0.7161   -3.0158    0.4071 H   0  0  0  0  0
   -0.2533   -4.6318   -1.8401 H   0  0  0  0  0
   -1.8482   -2.1210   -4.7719 H   0  0  0  0  0
   -2.1115   -0.9320   -2.5388 H   0  0  0  0  0
    3.4105    1.7247    1.0723 H   0  0  0  0  0
    2.9652   -0.4153   -2.1673 H   0  0  0  0  0
    4.4941    0.0676   -1.6245 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 24  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 14 25  1  0  0  0
 15 26  1  0  0  0
 15 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL75322

>  <PubChem CID>
23368271

>  <Formula>
C11H12N4

>  <Molecular Weight>
200.245000

>  <IUPAC Name>
3-(1H-imidazol-5-ylmethyl)benzenecarboximidamide

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=CC(=C1)CC2=CN=CN2)C(=N)N

>  <Isomeric SMILES>
C1=CC(=CC(=C1)CC2=CN=CN2)C(=N)N

>  <InChI Std. ID>
InChI=1S/C11H12N4/c12-11(13)9-3-1-2-8(4-9)5-10-6-14-7-15-10/h1-4,6-7H,5H2,(H3,12,13)(H,14,15)

>  <InChI Key>
BJASTQMHYFCWIE-UHFFFAOYSA-N

