
 CHEMBL30534

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2098   -0.6226    0.1306 C   0  0  0  0  0
    2.1186    0.7620    0.1159 C   0  0  0  0  0
    0.8680    1.3936    0.0335 C   0  0  0  0  0
   -0.3256    0.6206   -0.0429 C   0  0  0  0  0
   -1.7131    0.9971   -0.1601 C   0  0  0  0  0
   -2.5680   -0.0784   -0.2056 C   0  0  0  0  0
   -1.7317   -1.5581   -0.1212 S   0  0  0  0  0
   -0.1987   -0.7741   -0.0253 C   0  0  0  0  0
    1.0582   -1.4060    0.0617 C   0  0  0  0  0
    0.7715    2.8441    0.0222 C   0  0  0  0  0
    0.0875    3.7381    0.8227 C   0  0  0  0  0
    0.2987    5.0327    0.4201 N   0  0  0  0  0
    1.1067    4.9437   -0.6089 C   0  0  0  0  0
    1.4268    3.6452   -0.8845 N   0  0  0  0  0
    3.1829   -1.1025    0.2045 H   0  0  0  0  0
    3.0286    1.3536    0.1917 H   0  0  0  0  0
   -2.0638    2.0209   -0.2103 H   0  0  0  0  0
   -3.6460   -0.0625   -0.2875 H   0  0  0  0  0
    1.1302   -2.4901    0.0769 H   0  0  0  0  0
   -0.5460    3.5138    1.6718 H   0  0  0  0  0
    1.4899    5.7730   -1.1890 H   0  0  0  0  0
    2.0208    3.3269   -1.6356 H   0  0  0  0  0
  1  2  2  0  0  0
  1  9  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 10  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 19  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 21  1  0  0  0
 14 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL30534

>  <PubChem CID>
10176567

>  <Formula>
C11H8N2S

>  <Molecular Weight>
200.259000

>  <IUPAC Name>
5-(1-benzothiophen-4-yl)-1H-imidazole

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=C2C=CSC2=C1)C3=CN=CN3

>  <Isomeric SMILES>
C1=CC(=C2C=CSC2=C1)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)

>  <InChI Key>
QRRRICPYXPJYEH-UHFFFAOYSA-N

