
 CHEMBL315836

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.2225    0.1861    1.1008 C   0  0  0  0  0
    2.4115    0.0818    0.1924 C   0  0  0  0  0
    2.6466    1.1162   -0.6473 N   0  0  0  0  0
    3.6869    0.9983   -1.4992 C   0  0  0  0  0
    4.5245   -0.1025   -1.5522 C   0  0  0  0  0
    4.2905   -1.1510   -0.6664 C   0  0  0  0  0
    3.2008   -1.0622    0.2056 C   0  0  0  0  0
    5.1118   -2.3504   -0.6429 C   0  0  0  0  0
    6.4901   -2.4595   -0.7700 C   0  0  0  0  0
    6.7117   -3.8156   -0.6445 N   0  0  0  0  0
    5.5168   -4.4686   -0.4775 C   0  0  0  0  0
    4.5347   -3.5922   -0.4665 N   0  0  0  0  0
    5.3884   -5.9229   -0.3778 C   0  0  0  0  0
    4.2001   -6.5384   -0.7991 C   0  0  0  0  0
    4.0552   -7.9278   -0.7469 C   0  0  0  0  0
    5.0974   -8.7122   -0.2618 C   0  0  0  0  0
    6.2790   -8.1186    0.1772 C   0  0  0  0  0
    6.4245   -6.7284    0.1198 C   0  0  0  0  0
    4.9272  -10.4227   -0.1998 Cl  0  0  0  0  0
    7.6004   -1.5206   -0.9405 C   0  0  0  0  0
    7.6271   -0.2926   -0.2653 C   0  0  0  0  0
    8.7032    0.5864   -0.4276 C   0  0  0  0  0
    9.7633    0.2295   -1.2511 C   0  0  0  0  0
    9.7671   -0.9842   -1.9228 C   0  0  0  0  0
    8.6848   -1.8556   -1.7722 C   0  0  0  0  0
   10.7982    1.0673   -1.3984 F   0  0  0  0  0
    0.8469    1.2140    1.1319 H   0  0  0  0  0
    1.4905   -0.1053    2.1208 H   0  0  0  0  0
    0.4196   -0.4648    0.7410 H   0  0  0  0  0
    3.8316    1.8424   -2.1679 H   0  0  0  0  0
    5.3284   -0.1344   -2.2784 H   0  0  0  0  0
    2.9732   -1.8800    0.8840 H   0  0  0  0  0
    7.6135   -4.2634   -0.6828 H   0  0  0  0  0
    3.3806   -5.9296   -1.1806 H   0  0  0  0  0
    3.1300   -8.3853   -1.0874 H   0  0  0  0  0
    7.0882   -8.7305    0.5682 H   0  0  0  0  0
    7.3482   -6.2916    0.4887 H   0  0  0  0  0
    6.8161   -0.0070    0.4016 H   0  0  0  0  0
    8.7206    1.5402    0.0879 H   0  0  0  0  0
   10.6049   -1.2442   -2.5603 H   0  0  0  0  0
    8.6964   -2.7924   -2.3250 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 13  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>
CHEMBL315836

>  <PubChem CID>
44319257

>  <Formula>
C21H15ClFN3

>  <Molecular Weight>
363.820000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC=CC(=C1)C2=C(NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC1=NC=CC(=C1)C2=C(NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H15ClFN3/c1-13-12-16(10-11-24-13)20-19(14-4-8-18(23)9-5-14)25-21(26-20)15-2-6-17(22)7-3-15/h2-12H,1H3,(H,25,26)

>  <InChI Key>
APKKXGAJMPHCEP-UHFFFAOYSA-N

