
 CHEMBL314238

 38 41  0  0  0  0  0  0  0  0999 V2000
   -0.9575    0.8604    1.1783 C   0  0  0  0  0
    0.3778    1.0544    1.5380 C   0  0  0  0  0
    1.3718    0.3495    0.8722 C   0  0  0  0  0
    1.0569   -0.5359   -0.1530 C   0  0  0  0  0
   -0.2798   -0.7272   -0.5163 C   0  0  0  0  0
   -1.3013   -0.0452    0.1604 C   0  0  0  0  0
   -2.7055   -0.2254   -0.1708 C   0  0  0  0  0
   -3.3856   -1.4102   -0.4246 C   0  0  0  0  0
   -4.6836   -0.9857   -0.6295 N   0  0  0  0  0
   -4.7544    0.3790   -0.5047 C   0  0  0  0  0
   -3.5591    0.8581   -0.2339 N   0  0  0  0  0
   -5.9868    1.1475   -0.6841 C   0  0  0  0  0
   -5.9144    2.4701   -1.1438 C   0  0  0  0  0
   -7.0765    3.2215   -1.3453 C   0  0  0  0  0
   -8.3204    2.6569   -1.0761 C   0  0  0  0  0
   -8.4107    1.3495   -0.6035 C   0  0  0  0  0
   -7.2477    0.5976   -0.4074 C   0  0  0  0  0
   -9.7524    3.5756   -1.3231 Cl  0  0  0  0  0
   -3.0358   -2.8320   -0.4475 C   0  0  0  0  0
   -2.1151   -3.3699    0.4513 C   0  0  0  0  0
   -1.8405   -4.7278    0.3929 C   0  0  0  0  0
   -2.4267   -5.5783   -0.4766 N   0  0  0  0  0
   -3.3194   -5.0448   -1.3321 C   0  0  0  0  0
   -3.6488   -3.6986   -1.3601 C   0  0  0  0  0
    2.6525    0.5275    1.2195 F   0  0  0  0  0
   -1.7374    1.4178    1.6941 H   0  0  0  0  0
    0.6431    1.7499    2.3267 H   0  0  0  0  0
    1.8517   -1.0666   -0.6670 H   0  0  0  0  0
   -0.5140   -1.4074   -1.3325 H   0  0  0  0  0
   -5.4675   -1.5861   -0.8311 H   0  0  0  0  0
   -4.9443    2.9192   -1.3544 H   0  0  0  0  0
   -7.0005    4.2435   -1.7102 H   0  0  0  0  0
   -9.3806    0.9123   -0.3797 H   0  0  0  0  0
   -7.3470   -0.4109   -0.0148 H   0  0  0  0  0
   -1.6177   -2.7595    1.1976 H   0  0  0  0  0
   -1.1210   -5.1822    1.0697 H   0  0  0  0  0
   -3.7791   -5.7482   -2.0197 H   0  0  0  0  0
   -4.3642   -3.3478   -2.0956 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 37  1  0  0  0
 24 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL314238

>  <PubChem CID>
44319591

>  <Formula>
C20H13ClFN3

>  <Molecular Weight>
349.793000

>  <IUPAC Name>
4-[2-(4-chlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC=C1C2=C(NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F

>  <Isomeric SMILES>
C1=CC(=CC=C1C2=C(NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F

>  <InChI Std. ID>
InChI=1S/C20H13ClFN3/c21-16-5-1-15(2-6-16)20-24-18(13-3-7-17(22)8-4-13)19(25-20)14-9-11-23-12-10-14/h1-12H,(H,24,25)

>  <InChI Key>
BYRKVDOSQUAVAB-UHFFFAOYSA-N

