
 CHEMBL555173

 53 55  0  0  0  0  0  0  0  0999 V2000
    5.5695   -2.4477    5.5579 C   0  0  0  0  0
    5.5598   -2.1964    4.0518 C   0  0  0  0  0
    5.8589   -3.4836    3.2753 C   0  0  0  0  0
    5.8916   -3.2245    1.7919 C   0  0  0  0  0
    7.0431   -3.0791    1.1095 N   0  0  0  0  0
    6.6696   -2.8709   -0.1705 C   0  0  0  0  0
    5.2971   -2.9077   -0.2503 C   0  0  0  0  0
    4.8045   -3.1306    0.9827 N   0  0  0  0  0
    3.3903   -3.2901    1.3277 C   0  0  0  0  0
    2.5625   -2.0478    0.9642 C   0  0  0  0  0
    1.0987   -2.1717    1.4345 C   0  0  0  0  0
    0.6358   -0.7126    1.6896 C   0  0  0  0  0
    1.9945   -0.1348    1.9877 C   0  0  0  0  0
    2.1834    1.0027    2.3907 O   0  0  0  0  0
    3.0099   -0.9253    1.6142 O   0  0  0  0  0
   -0.3657   -0.7304    2.8518 C   0  0  0  0  0
   -1.6490   -1.2770    2.6473 C   0  0  0  0  0
   -2.5723   -1.3353    3.6954 C   0  0  0  0  0
   -2.2271   -0.8590    4.9610 C   0  0  0  0  0
   -0.9594   -0.3196    5.1816 C   0  0  0  0  0
   -0.0323   -0.2513    4.1384 C   0  0  0  0  0
    0.0413    0.0385    0.4874 C   0  0  0  0  0
   -0.2941    1.4028    0.6219 C   0  0  0  0  0
   -0.8440    2.1120   -0.4501 C   0  0  0  0  0
   -1.0751    1.4734   -1.6684 C   0  0  0  0  0
   -0.7554    0.1241   -1.8197 C   0  0  0  0  0
   -0.1995   -0.5929   -0.7550 C   0  0  0  0  0
    2.4156   -1.5952   -5.6295 Cl  0  0  0  0  0
    5.4052   -1.4912    6.0981 H   0  0  0  0  0
    6.5479   -2.8674    5.8778 H   0  0  0  0  0
    4.7614   -3.1575    5.8334 H   0  0  0  0  0
    6.3484   -1.4465    3.8163 H   0  0  0  0  0
    4.5745   -1.7775    3.7597 H   0  0  0  0  0
    5.1430   -4.2996    3.5090 H   0  0  0  0  0
    6.8682   -3.8302    3.5889 H   0  0  0  0  0
    7.3591   -2.7124   -0.9875 H   0  0  0  0  0
    4.6991   -2.7901   -1.1460 H   0  0  0  0  0
    3.2871   -3.4941    2.4136 H   0  0  0  0  0
    2.9797   -4.1648    0.7778 H   0  0  0  0  0
    2.5986   -1.8475   -0.1296 H   0  0  0  0  0
    1.1745   -2.6351    2.4474 H   0  0  0  0  0
    0.4282   -2.8525    0.8701 H   0  0  0  0  0
   -1.9307   -1.6591    1.6739 H   0  0  0  0  0
   -3.5552   -1.7558    3.5272 H   0  0  0  0  0
   -2.9406   -0.9118    5.7731 H   0  0  0  0  0
   -0.6904    0.0416    6.1659 H   0  0  0  0  0
    0.9432    0.1590    4.3506 H   0  0  0  0  0
   -0.1292    1.9163    1.5601 H   0  0  0  0  0
   -1.0936    3.1588   -0.3344 H   0  0  0  0  0
   -1.5041    2.0243   -2.4960 H   0  0  0  0  0
   -0.9394   -0.3696   -2.7656 H   0  0  0  0  0
    0.0322   -1.6341   -0.9137 H   0  0  0  0  0
    1.7026   -0.6100   -4.9868 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 22  1  0  0  0
 12 16  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 26 27  2  0  0  0
 26 51  1  0  0  0
 27 52  1  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL555173

>  <PubChem CID>
45262278

>  <Formula>
C23H25ClN2O2

>  <Molecular Weight>
396.915000

>  <IUPAC Name>
3,3-diphenyl-5-[(2-propylimidazol-1-yl)methyl]oxolan-2-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=NC=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

>  <Isomeric SMILES>
CCCC1=NC=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C23H24N2O2.ClH/c1-2-9-21-24-14-15-25(21)17-20-16-23(22(26)27-20,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-15,20H,2,9,16-17H2,1H3;1H

>  <InChI Key>
AQURUXQWWLFPRV-UHFFFAOYSA-N

