
 CHEMBL521844

 41 44  0  0  0  0  0  0  0  0999 V2000
   -0.6511    1.3383    0.0924 C   0  0  0  0  0
   -1.7158    0.3515   -0.4782 C   0  0  0  0  0
   -0.9690   -0.8852   -0.2974 N   0  0  0  0  0
    0.3719   -0.6151   -0.2099 C   0  0  0  0  0
    0.6772    0.6508   -0.0257 N   0  0  0  0  0
    1.4340   -1.6620   -0.3163 C   0  0  0  0  0
    2.7666   -1.2333   -0.1723 C   0  0  0  0  0
    3.8278   -2.1407   -0.2224 C   0  0  0  0  0
    3.5750   -3.4938   -0.4156 C   0  0  0  0  0
    2.2617   -3.9363   -0.5652 C   0  0  0  0  0
    1.1906   -3.0308   -0.5200 C   0  0  0  0  0
   -0.3822   -3.7213   -0.7375 Cl  0  0  0  0  0
   -2.9660    0.3853    0.4157 C   0  0  0  0  0
   -3.1125   -0.4894    1.5126 C   0  0  0  0  0
   -4.2465   -0.4410    2.3258 C   0  0  0  0  0
   -5.2434    0.4852    2.0555 C   0  0  0  0  0
   -5.1223    1.3736    0.9955 C   0  0  0  0  0
   -3.9846    1.3329    0.1856 C   0  0  0  0  0
   -6.3341    0.5270    2.8315 F   0  0  0  0  0
   -2.0348    0.4532   -1.9846 C   0  0  0  0  0
   -1.3769    1.3482   -2.8490 C   0  0  0  0  0
   -1.7062    1.4123   -4.2069 C   0  0  0  0  0
   -2.6807    0.5694   -4.7214 C   0  0  0  0  0
   -3.3307   -0.3444   -3.9059 C   0  0  0  0  0
   -3.0079   -0.4054   -2.5483 C   0  0  0  0  0
   -2.9927    0.6345   -6.0221 F   0  0  0  0  0
   -0.8067    1.5386    1.1610 H   0  0  0  0  0
   -0.6306    2.3100   -0.4078 H   0  0  0  0  0
   -1.2626   -1.6899   -0.8384 H   0  0  0  0  0
    2.9886   -0.1792   -0.0108 H   0  0  0  0  0
    4.8492   -1.7862   -0.1050 H   0  0  0  0  0
    4.3974   -4.2041   -0.4498 H   0  0  0  0  0
    2.0765   -4.9976   -0.7164 H   0  0  0  0  0
   -2.3353   -1.2141    1.7509 H   0  0  0  0  0
   -4.3528   -1.1178    3.1677 H   0  0  0  0  0
   -5.9129    2.0927    0.8060 H   0  0  0  0  0
   -3.9067    2.0426   -0.6365 H   0  0  0  0  0
   -0.5866    2.0049   -2.4943 H   0  0  0  0  0
   -1.2007    2.1116   -4.8657 H   0  0  0  0  0
   -4.0837   -1.0025   -4.3281 H   0  0  0  0  0
   -3.5306   -1.1289   -1.9229 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL521844

>  <PubChem CID>
44573408

>  <Formula>
C21H15ClF2N2

>  <Molecular Weight>
368.812000

>  <IUPAC Name>
2-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(NC(=N1)C2=CC=CC=C2Cl)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1C(NC(=N1)C2=CC=CC=C2Cl)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H15ClF2N2/c22-19-4-2-1-3-18(19)20-25-13-21(26-20,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h1-12H,13H2,(H,25,26)

>  <InChI Key>
CEWAFXCNDQBSHL-UHFFFAOYSA-N

