
 CHEMBL520100

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.9225   -0.3512    1.2994 C   0  0  0  0  0
    1.6138   -0.2761   -0.0734 C   0  0  0  0  0
    0.7644   -1.1030   -1.0555 C   0  0  0  0  0
    1.8111    1.1299   -0.5279 N   0  0  0  0  0
    2.4043    1.1880   -1.8788 C   0  0  0  0  0
    2.6145    2.6211   -2.3701 C   0  0  0  0  0
    3.4709    3.4313   -1.4026 C   0  0  0  0  0
    2.8606    3.3446   -0.0081 C   0  0  0  0  0
    2.6481    1.8920    0.4232 C   0  0  0  0  0
    4.7921    2.8711   -1.4099 O   0  0  0  0  0
    5.7815    3.7088   -1.1115 C   0  0  0  0  0
    5.6594    4.9827   -0.8238 N   0  0  0  0  0
    6.9384    5.4281   -0.6224 C   0  0  0  0  0
    7.8681    4.4216   -0.8181 C   0  0  0  0  0
    7.0902    3.3099   -1.0765 N   0  0  0  0  0
    7.5689    1.9681   -1.3080 C   0  0  0  0  0
    9.3125    4.4379   -0.7390 C   0  0  0  0  0
    9.9664    3.4423   -0.4349 O   0  0  0  0  0
   10.0685    5.6848   -1.0597 C   0  0  0  0  0
    9.6163    6.6001   -2.0213 C   0  0  0  0  0
   10.3758    7.7352   -2.3226 C   0  0  0  0  0
   11.5937    7.9480   -1.6785 C   0  0  0  0  0
   12.0625    7.0345   -0.7363 C   0  0  0  0  0
   11.3031    5.9016   -0.4298 C   0  0  0  0  0
   12.5302    9.3385   -2.0619 Cl  0  0  0  0  0
    1.5630    0.0251    2.1024 H   0  0  0  0  0
    0.6841   -1.3888    1.5595 H   0  0  0  0  0
   -0.0137    0.2177    1.3047 H   0  0  0  0  0
    2.5912   -0.7698    0.0153 H   0  0  0  0  0
   -0.1855   -0.6046   -1.2779 H   0  0  0  0  0
    0.5341   -2.0897   -0.6377 H   0  0  0  0  0
    1.2914   -1.2858   -1.9970 H   0  0  0  0  0
    1.7359    0.7175   -2.6073 H   0  0  0  0  0
    3.3552    0.6405   -1.9059 H   0  0  0  0  0
    3.0963    2.5869   -3.3546 H   0  0  0  0  0
    1.6404    3.1099   -2.4983 H   0  0  0  0  0
    3.4831    4.4705   -1.7563 H   0  0  0  0  0
    3.5109    3.8350    0.7254 H   0  0  0  0  0
    1.8993    3.8737    0.0055 H   0  0  0  0  0
    3.6193    1.3991    0.5613 H   0  0  0  0  0
    2.1640    1.9374    1.4038 H   0  0  0  0  0
    7.1226    6.4598   -0.3492 H   0  0  0  0  0
    6.7598    1.3389   -1.6864 H   0  0  0  0  0
    7.9336    1.5659   -0.3592 H   0  0  0  0  0
    8.3702    2.0013   -2.0506 H   0  0  0  0  0
    8.6890    6.4364   -2.5653 H   0  0  0  0  0
   10.0180    8.4408   -3.0687 H   0  0  0  0  0
   13.0190    7.1917   -0.2440 H   0  0  0  0  0
   11.6815    5.1840    0.2966 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL520100

>  <PubChem CID>
11545034

>  <Formula>
C19H24ClN3O2

>  <Molecular Weight>
361.870000

>  <IUPAC Name>
(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1CCC(CC1)OC2=NC=C(N2C)C(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC(C)N1CCC(CC1)OC2=NC=C(N2C)C(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H24ClN3O2/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3

>  <InChI Key>
ADVSMVQOVMSWJJ-UHFFFAOYSA-N

