
 CHEMBL1956193

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.9124    0.4597   -0.4738 C   0  0  0  0  0
    2.2987   -0.1643   -0.3676 C   0  0  0  0  0
    2.6075   -0.9315   -1.6541 C   0  0  0  0  0
    1.8758   -1.9528   -2.0343 N   0  0  0  0  0
    2.5035   -2.3888   -3.3160 C   0  0  0  0  0
    3.4512   -1.2610   -3.7420 C   0  0  0  0  0
    3.6457   -0.5882   -2.4847 N   0  0  0  0  0
    3.2749    0.8721   -0.2323 O   0  0  0  0  0
    3.6304    1.3307    1.0034 C   0  0  0  0  0
    3.0903    0.8664    2.2089 C   0  0  0  0  0
    3.5207    1.3820    3.4338 C   0  0  0  0  0
    4.4905    2.3754    3.4696 C   0  0  0  0  0
    5.0267    2.8542    2.2768 C   0  0  0  0  0
    4.6059    2.3417    1.0315 C   0  0  0  0  0
    5.2286    2.9248   -0.2144 C   0  0  0  0  0
    4.9774    4.2630   -0.3277 F   0  0  0  0  0
    6.5903    2.8177   -0.2016 F   0  0  0  0  0
    4.8384    2.3826   -1.4028 F   0  0  0  0  0
    0.6807    1.0626    0.4093 H   0  0  0  0  0
    0.1372   -0.3042   -0.5844 H   0  0  0  0  0
    0.8544    1.1303   -1.3388 H   0  0  0  0  0
    2.3550   -0.9061    0.4363 H   0  0  0  0  0
    3.0520   -3.3213   -3.1407 H   0  0  0  0  0
    1.7370   -2.5725   -4.0756 H   0  0  0  0  0
    2.9650   -0.5936   -4.4609 H   0  0  0  0  0
    4.3847   -1.6394   -4.1665 H   0  0  0  0  0
    3.9565    0.3796   -2.4663 H   0  0  0  0  0
    2.3229    0.1001    2.2417 H   0  0  0  0  0
    3.0946    1.0057    4.3604 H   0  0  0  0  0
    4.8271    2.7783    4.4213 H   0  0  0  0  0
    5.7826    3.6387    2.3125 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1956193

>  <PubChem CID>
57395663

>  <Formula>
C12H13F3N2O

>  <Molecular Weight>
258.244000

>  <IUPAC Name>
2-[1-[2-(trifluoromethyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=NCCN1)OC2=CC=CC=C2C(F)(F)F

>  <Isomeric SMILES>
CC(C1=NCCN1)OC2=CC=CC=C2C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C12H13F3N2O/c1-8(11-16-6-7-17-11)18-10-5-3-2-4-9(10)12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)

>  <InChI Key>
BFKLSSIIDDEGQB-UHFFFAOYSA-N

