
 CHEMBL109498

 34 35  0  0  0  0  0  0  0  0999 V2000
   -0.9320   -0.3881   -1.1920 C   0  0  0  0  0
    0.4475   -0.1929   -1.2513 C   0  0  0  0  0
    1.2029   -0.1012   -0.0759 C   0  0  0  0  0
    0.5554   -0.2204    1.1625 C   0  0  0  0  0
   -0.8332   -0.4168    1.2345 C   0  0  0  0  0
   -1.5698   -0.4984    0.0433 C   0  0  0  0  0
   -1.5371   -0.5408    2.5631 C   0  0  0  0  0
   -2.4856    0.4205    2.7429 F   0  0  0  0  0
   -2.1834   -1.7321    2.7013 F   0  0  0  0  0
   -0.7026   -0.4447    3.6361 F   0  0  0  0  0
    2.6975    0.0940   -0.1406 C   0  0  0  0  0
    3.4406   -1.2429   -0.1863 C   0  0  0  0  0
    4.9543   -1.0318   -0.2470 C   0  0  0  0  0
    5.7024   -2.3655   -0.2920 C   0  0  0  0  0
    7.1736   -2.1588   -0.3466 C   0  0  0  0  0
    8.1265   -2.0423    0.6428 C   0  0  0  0  0
    9.3721   -1.8535    0.1034 N   0  0  0  0  0
    9.1916   -1.8572   -1.1965 C   0  0  0  0  0
    7.8776   -2.0409   -1.5194 N   0  0  0  0  0
   -1.5105   -0.4545   -2.1103 H   0  0  0  0  0
    0.9310   -0.1110   -2.2223 H   0  0  0  0  0
    1.1387   -0.1587    2.0811 H   0  0  0  0  0
   -2.6478   -0.6501    0.0764 H   0  0  0  0  0
    3.0256    0.6803    0.7271 H   0  0  0  0  0
    2.9477    0.6965   -1.0230 H   0  0  0  0  0
    3.1152   -1.8208   -1.0606 H   0  0  0  0  0
    3.1886   -1.8404    0.6990 H   0  0  0  0  0
    5.2791   -0.4530    0.6273 H   0  0  0  0  0
    5.2062   -0.4340   -1.1323 H   0  0  0  0  0
    5.3772   -2.9473   -1.1633 H   0  0  0  0  0
    5.4536   -2.9607    0.5952 H   0  0  0  0  0
    7.9808   -2.0821    1.7148 H   0  0  0  0  0
    9.9633   -1.7334   -1.9443 H   0  0  0  0  0
    7.4994   -2.0799   -2.4556 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 23  1  0  0  0
  7 10  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL109498

>  <PubChem CID>
11149841

>  <Formula>
C14H15F3N2

>  <Molecular Weight>
268.283000

>  <IUPAC Name>
5-[4-[3-(trifluoromethyl)phenyl]butyl]-1H-imidazole

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=CC(=C1)C(F)(F)F)CCCCC2=CN=CN2

>  <Isomeric SMILES>
C1=CC(=CC(=C1)C(F)(F)F)CCCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C14H15F3N2/c15-14(16,17)12-6-3-5-11(8-12)4-1-2-7-13-9-18-10-19-13/h3,5-6,8-10H,1-2,4,7H2,(H,18,19)

>  <InChI Key>
BEIQLZSLCJDKHP-UHFFFAOYSA-N

