
 CHEMBL76457

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.9125   -0.4270    0.7569 C   0  0  0  0  0
   -2.5857    0.7213    0.3525 C   0  0  0  0  0
   -1.9672    1.6091   -0.5224 C   0  0  0  0  0
   -0.6747    1.3408   -0.9876 C   0  0  0  0  0
    0.0319    0.1835   -0.5915 C   0  0  0  0  0
   -0.6191   -0.6903    0.2897 C   0  0  0  0  0
    1.3409   -0.0417   -1.0821 N   0  0  0  0  0
    2.1954   -1.0388   -0.7731 C   0  0  0  0  0
    2.0794   -2.0621    0.0442 N   0  0  0  0  0
    3.2621   -2.7509   -0.0263 C   0  0  0  0  0
    4.1233   -2.1428   -0.9044 C   0  0  0  0  0
    3.4333   -1.0590   -1.3713 N   0  0  0  0  0
    0.1089    2.6019   -2.1823 Br  0  0  0  0  0
   -2.3876   -1.1272    1.4399 H   0  0  0  0  0
   -3.5887    0.9225    0.7190 H   0  0  0  0  0
   -2.4959    2.5052   -0.8355 H   0  0  0  0  0
   -0.1339   -1.6004    0.6315 H   0  0  0  0  0
    1.6230    0.6898   -1.7260 H   0  0  0  0  0
    3.4271   -3.6456    0.5597 H   0  0  0  0  0
    5.1279   -2.3759   -1.2258 H   0  0  0  0  0
    3.7654   -0.3821   -2.0399 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  2  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 19  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL76457

>  <PubChem CID>
10490084

>  <Formula>
C9H8BrN3

>  <Molecular Weight>
238.088000

>  <IUPAC Name>
N-(2-bromophenyl)-1H-imidazol-2-amine

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C(=C1)NC2=NC=CN2)Br

>  <Isomeric SMILES>
C1=CC=C(C(=C1)NC2=NC=CN2)Br

>  <InChI Std. ID>
InChI=1S/C9H8BrN3/c10-7-3-1-2-4-8(7)13-9-11-5-6-12-9/h1-6H,(H2,11,12,13)

>  <InChI Key>
KHNAVCNEASQADL-UHFFFAOYSA-N

