
 CHEMBL184736

 39 41  0  0  0  0  0  0  0  0999 V2000
   -1.1556   -1.1539   -0.0963 C   0  0  0  0  0
   -0.6141    0.1587   -0.1104 O   0  0  0  0  0
   -0.0633    0.5996   -1.2837 C   0  0  0  0  0
    0.7717    1.7300   -1.1906 C   0  0  0  0  0
    1.3559    2.2531   -2.3571 C   0  0  0  0  0
    1.1049    1.6640   -3.5929 C   0  0  0  0  0
    0.2708    0.5550   -3.6875 C   0  0  0  0  0
   -0.3137    0.0246   -2.5343 C   0  0  0  0  0
    1.8849    2.3865   -5.1562 Br  0  0  0  0  0
    1.0310    2.4231    0.1317 C   0  0  0  0  0
    0.1462    3.6545    0.3770 C   0  0  0  0  0
   -1.3227    3.3301    0.5577 C   0  0  0  0  0
   -2.2848    3.4108   -0.4723 C   0  0  0  0  0
   -3.6152    3.0273   -0.1904 C   0  0  0  0  0
   -3.9892    2.5600    1.0717 C   0  0  0  0  0
   -3.0410    2.4745    2.0787 C   0  0  0  0  0
   -1.7284    2.8568    1.8178 C   0  0  0  0  0
   -0.8308    2.7534    2.8107 F   0  0  0  0  0
   -1.9641    3.8687   -1.8330 C   0  0  0  0  0
   -1.1658    4.8604   -2.1811 N   0  0  0  0  0
   -1.1656    4.8973   -3.5515 C   0  0  0  0  0
   -1.9960    3.9319   -4.0610 C   0  0  0  0  0
   -2.4877    3.2786   -2.9653 N   0  0  0  0  0
   -2.0750   -1.2062   -0.6877 H   0  0  0  0  0
   -1.4133   -1.3961    0.9387 H   0  0  0  0  0
   -0.4205   -1.8903   -0.4393 H   0  0  0  0  0
    1.9893    3.1346   -2.2939 H   0  0  0  0  0
    0.0647    0.0988   -4.6524 H   0  0  0  0  0
   -0.9712   -0.8318   -2.6453 H   0  0  0  0  0
    2.0826    2.7412    0.1487 H   0  0  0  0  0
    0.9414    1.7117    0.9621 H   0  0  0  0  0
    0.3067    4.4005   -0.4040 H   0  0  0  0  0
    0.4972    4.1508    1.2919 H   0  0  0  0  0
   -4.3850    3.1066   -0.9535 H   0  0  0  0  0
   -5.0195    2.2712    1.2651 H   0  0  0  0  0
   -3.3051    2.1145    3.0677 H   0  0  0  0  0
   -0.5654    5.6148   -4.0948 H   0  0  0  0  0
   -2.2582    3.6509   -5.0712 H   0  0  0  0  0
   -3.1062    2.4816   -2.9700 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 19  1  0  0  0
 14 15  2  0  0  0
 14 34  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
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
 23 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL184736

>  <PubChem CID>
44396125

>  <Formula>
C18H16BrFN2O

>  <Molecular Weight>
375.241000

>  <IUPAC Name>
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1H-imidazole

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NC=CN3

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NC=CN3

>  <InChI Std. ID>
InChI=1S/C18H16BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8-11H,5,7H2,1H3,(H,21,22)

>  <InChI Key>
ABZSBXQQMIKGRR-UHFFFAOYSA-N

