
 CHEMBL286269

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1725    0.9040    0.1790 C   0  0  0  0  0
    2.2376   -0.5612   -0.2858 C   0  0  0  0  0
    1.0538   -1.4146    0.2376 C   0  0  0  0  0
   -0.2313   -0.6356    0.0989 C   0  0  0  0  0
   -0.3221    0.7287   -0.1161 C   0  0  0  0  0
    0.8858    1.5984   -0.2880 C   0  0  0  0  0
   -1.6830    1.1563   -0.1806 C   0  0  0  0  0
   -2.5655    0.1098   -0.0249 C   0  0  0  0  0
   -1.7621   -1.3851    0.1860 S   0  0  0  0  0
    1.3045   -1.8638    1.6474 C   0  0  0  0  0
    1.1103   -1.2642    2.8761 C   0  0  0  0  0
    1.5182   -2.0840    3.8960 N   0  0  0  0  0
    1.9383   -3.1802    3.3111 C   0  0  0  0  0
    1.8258   -3.0989    1.9529 N   0  0  0  0  0
    3.0397    1.4530   -0.2058 H   0  0  0  0  0
    2.2371    0.9469    1.2726 H   0  0  0  0  0
    3.1961   -1.0011    0.0163 H   0  0  0  0  0
    2.2215   -0.5704   -1.3843 H   0  0  0  0  0
    0.9892   -2.3069   -0.4013 H   0  0  0  0  0
    0.9792    1.8513   -1.3516 H   0  0  0  0  0
    0.7583    2.5391    0.2598 H   0  0  0  0  0
   -2.0012    2.1796   -0.3396 H   0  0  0  0  0
   -3.6459    0.1483   -0.0316 H   0  0  0  0  0
    0.6997   -0.2826    3.0777 H   0  0  0  0  0
    2.3284   -4.0568    3.8118 H   0  0  0  0  0
    2.0815   -3.8236    1.2968 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  3 19  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL286269

>  <PubChem CID>
9837136

>  <Formula>
C11H12N2S

>  <Molecular Weight>
204.291000

>  <IUPAC Name>
5-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-imidazole

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CS2)C3=CN=CN3

>  <Isomeric SMILES>
C1CC(C2=C(C1)C=CS2)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)

>  <InChI Key>
BYGZPILZIWTFRA-UHFFFAOYSA-N

