
 CHEMBL1022

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.8174   -0.6938    0.1309 C   0  0  0  0  0
   -0.7758   -1.5259    0.5330 C   0  0  0  0  0
    0.5612   -1.1351    0.3576 C   0  0  0  0  0
    0.8872    0.1115   -0.2132 C   0  0  0  0  0
   -0.1949    0.9298   -0.6191 C   0  0  0  0  0
   -1.5268    0.5336   -0.4530 C   0  0  0  0  0
    0.0910    2.4669   -1.3684 Cl  0  0  0  0  0
    2.2154    0.5913   -0.3968 N   0  0  0  0  0
    3.1264    0.8735    0.5649 C   0  0  0  0  0
    4.0510    1.8047    0.4848 N   0  0  0  0  0
    4.7777    1.7206    1.6441 C   0  0  0  0  0
    4.2904    0.7204    2.4485 C   0  0  0  0  0
    3.2304    0.2047    1.7558 N   0  0  0  0  0
    1.7585   -2.3141    0.7765 Cl  0  0  0  0  0
   -2.8505   -1.0092    0.2569 H   0  0  0  0  0
   -1.0108   -2.4967    0.9653 H   0  0  0  0  0
   -2.3380    1.1781   -0.7837 H   0  0  0  0  0
    2.2263    1.3227   -1.1104 H   0  0  0  0  0
    5.6188    2.3758    1.8301 H   0  0  0  0  0
    4.5983    0.3361    3.4101 H   0  0  0  0  0
    2.6628   -0.5836    2.0256 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  4  2  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 17  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 19  1  0  0  0
 12 13  1  0  0  0
 12 20  1  0  0  0
 13 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1022

>  <PubChem CID>
10489502

>  <Formula>
C9H7Cl2N3

>  <Molecular Weight>
228.076000

>  <IUPAC Name>
N-(2,6-dichlorophenyl)-1H-imidazol-2-amine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-5H,(H2,12,13,14)

>  <InChI Key>
JMIQFISPBOHMQG-UHFFFAOYSA-N

