
 CHEMBL523819

 42 45  0  0  0  0  0  0  0  0999 V2000
   -0.4478    1.0962    0.3619 C   0  0  0  0  0
   -1.4738    0.1341   -0.3279 C   0  0  0  0  0
   -0.6915   -1.1015   -0.2937 N   0  0  0  0  0
    0.6295   -0.7855   -0.0810 C   0  0  0  0  0
    0.9013    0.4527    0.2438 N   0  0  0  0  0
    1.7031   -1.7907   -0.2401 C   0  0  0  0  0
    1.4335   -3.1418    0.0045 C   0  0  0  0  0
    2.4506   -4.0877   -0.1248 C   0  0  0  0  0
    3.7313   -3.6849   -0.5092 C   0  0  0  0  0
    4.0018   -2.3329   -0.7569 C   0  0  0  0  0
    2.9874   -1.3820   -0.6117 C   0  0  0  0  0
    5.3144   -1.9278   -1.1653 C   0  0  0  0  0
    6.3783   -1.6108   -1.5078 N   0  0  0  0  0
   -2.7337    0.0184    0.5446 C   0  0  0  0  0
   -3.5208    1.1626    0.7951 C   0  0  0  0  0
   -4.6729    1.0821    1.5810 C   0  0  0  0  0
   -5.0505   -0.1391    2.1230 C   0  0  0  0  0
   -4.2997   -1.2830    1.8933 C   0  0  0  0  0
   -3.1476   -1.2062    1.1075 C   0  0  0  0  0
   -6.1549   -0.2150    2.8766 F   0  0  0  0  0
   -1.7602    0.4579   -1.8116 C   0  0  0  0  0
   -2.9791    0.0905   -2.4209 C   0  0  0  0  0
   -3.2306    0.3730   -3.7672 C   0  0  0  0  0
   -2.2595    1.0039   -4.5306 C   0  0  0  0  0
   -1.0374    1.3506   -3.9756 C   0  0  0  0  0
   -0.7872    1.0740   -2.6285 C   0  0  0  0  0
   -2.5012    1.2717   -5.8201 F   0  0  0  0  0
   -0.6480    1.2168    1.4345 H   0  0  0  0  0
   -0.4327    2.0967   -0.0834 H   0  0  0  0  0
   -0.8835   -1.7510   -1.0475 H   0  0  0  0  0
    0.4451   -3.4595    0.3272 H   0  0  0  0  0
    2.2483   -5.1363    0.0819 H   0  0  0  0  0
    4.5176   -4.4317   -0.6101 H   0  0  0  0  0
    3.1882   -0.3274   -0.7920 H   0  0  0  0  0
   -3.2421    2.1274    0.3735 H   0  0  0  0  0
   -5.2766    1.9633    1.7739 H   0  0  0  0  0
   -4.6107   -2.2271    2.3296 H   0  0  0  0  0
   -2.5714   -2.1152    0.9495 H   0  0  0  0  0
   -3.7588   -0.4164   -1.8550 H   0  0  0  0  0
   -4.1781    0.1023   -4.2231 H   0  0  0  0  0
   -0.2829    1.8301   -4.5918 H   0  0  0  0  0
    0.1905    1.3417   -2.2297 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  3 30  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 31  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 34  1  0  0  0
 12 13  3  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 41  1  0  0  0
 26 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL523819

>  <PubChem CID>
10133076

>  <Formula>
C22H15F2N3

>  <Molecular Weight>
359.380000

>  <IUPAC Name>
3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C22H15F2N3/c23-19-8-4-17(5-9-19)22(18-6-10-20(24)11-7-18)14-26-21(27-22)16-3-1-2-15(12-16)13-25/h1-12H,14H2,(H,26,27)

>  <InChI Key>
BBDAERKIAOKZLY-UHFFFAOYSA-N

