
 CHEMBL1956200

 34 35  0  0  0  0  0  0  0  0999 V2000
    1.2519    0.5459   -0.1854 C   0  0  0  0  0
    2.2375    0.9208    0.9149 C   0  0  0  0  0
    1.6866    0.4330    2.2503 C   0  0  0  0  0
    0.9166    1.1992    2.9848 N   0  0  0  0  0
    0.5823    0.3453    4.1633 C   0  0  0  0  0
    1.5433   -0.8490    4.1227 C   0  0  0  0  0
    1.9497   -0.8256    2.7393 N   0  0  0  0  0
    3.4536    0.2375    0.6294 O   0  0  0  0  0
    4.6656    0.8473    0.7156 C   0  0  0  0  0
    4.8766    2.2256    0.7772 C   0  0  0  0  0
    6.1764    2.7466    0.7988 C   0  0  0  0  0
    7.2802    1.8987    0.7569 C   0  0  0  0  0
    7.0892    0.5216    0.7042 C   0  0  0  0  0
    5.7873    0.0042    0.6818 C   0  0  0  0  0
    5.5691   -1.7623    0.6707 S   0  0  0  0  0
    6.8889   -2.3644    0.5782 O   0  0  0  0  0
    4.6913   -2.0978    1.7790 O   0  0  0  0  0
    4.7356   -2.1161   -0.8558 C   0  0  0  0  0
    1.6317    0.8675   -1.1611 H   0  0  0  0  0
    0.2717    1.0033   -0.0198 H   0  0  0  0  0
    1.1172   -0.5408   -0.2406 H   0  0  0  0  0
    2.3207    2.0083    0.9494 H   0  0  0  0  0
    0.6892    0.9140    5.0920 H   0  0  0  0  0
   -0.4600    0.0175    4.0740 H   0  0  0  0  0
    1.0528   -1.7856    4.4007 H   0  0  0  0  0
    2.4041   -0.6773    4.7769 H   0  0  0  0  0
    2.8520   -1.2433    2.4964 H   0  0  0  0  0
    4.0619    2.9409    0.7967 H   0  0  0  0  0
    6.3244    3.8237    0.8452 H   0  0  0  0  0
    8.2865    2.3107    0.7714 H   0  0  0  0  0
    7.9557   -0.1365    0.6866 H   0  0  0  0  0
    3.7104   -1.7482   -0.8198 H   0  0  0  0  0
    4.7211   -3.2011   -0.9843 H   0  0  0  0  0
    5.2861   -1.6567   -1.6789 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 32  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1956200

>  <PubChem CID>
57400959

>  <Formula>
C12H16N2O3S

>  <Molecular Weight>
268.331000

>  <IUPAC Name>
2-[1-(2-methylsulfonylphenoxy)ethyl]-4,5-dihydro-1H-imidazole

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1=NCCN1)OC2=CC=CC=C2S(=O)(=O)C

>  <Isomeric SMILES>
CC(C1=NCCN1)OC2=CC=CC=C2S(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C12H16N2O3S/c1-9(12-13-7-8-14-12)17-10-5-3-4-6-11(10)18(2,15)16/h3-6,9H,7-8H2,1-2H3,(H,13,14)

>  <InChI Key>
BUVSDNNKXQXCRO-UHFFFAOYSA-N

