
 GTPL9585

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.5974   -0.0531    1.5804 C   0  0  0  0  0
    2.9615    0.6194    1.5918 C   0  0  0  0  0
    3.3878    1.0440    0.1853 C   0  0  0  0  0
    4.8020    1.5874    0.1526 C   0  0  0  0  0
    5.1288    2.9652    0.2192 C   0  0  0  0  0
    6.4944    3.3366    0.1803 C   0  0  0  0  0
    7.5080    2.3866    0.0631 C   0  0  0  0  0
    7.1728    1.0460   -0.0036 C   0  0  0  0  0
    5.8439    0.6430    0.0462 C   0  0  0  0  0
    8.1377    0.1252   -0.1180 F   0  0  0  0  0
    4.0861    4.0662    0.3460 C   0  0  0  0  0
    3.8984    4.6130    1.7354 C   0  0  0  0  0
    3.4133    5.8099    2.0226 N   0  0  0  0  0
    3.3781    5.8788    3.3909 C   0  0  0  0  0
    3.8477    4.7146    3.9477 C   0  0  0  0  0
    4.1964    3.9260    2.8871 N   0  0  0  0  0
    4.4684    5.1797   -0.4725 O   0  0  0  0  0
    1.3089   -0.3412    2.5961 H   0  0  0  0  0
    1.6119   -0.9569    0.9632 H   0  0  0  0  0
    0.8307    0.6216    1.1868 H   0  0  0  0  0
    3.6949   -0.0736    2.0217 H   0  0  0  0  0
    2.9218    1.4895    2.2542 H   0  0  0  0  0
    2.6744    1.7610   -0.2296 H   0  0  0  0  0
    3.3339    0.1793   -0.4903 H   0  0  0  0  0
    6.7694    4.3914    0.2201 H   0  0  0  0  0
    8.5494    2.6874    0.0136 H   0  0  0  0  0
    5.6277   -0.4211   -0.0119 H   0  0  0  0  0
    3.1150    3.7454   -0.0352 H   0  0  0  0  0
    3.0120    6.7602    3.9006 H   0  0  0  0  0
    3.9672    4.3939    4.9724 H   0  0  0  0  0
    4.6014    3.0000    2.9339 H   0  0  0  0  0
    4.0453    5.9558   -0.0535 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 27  1  0  0  0
 11 17  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
GTPL9585

>  <PubChem CID>
126961334

>  <Formula>
C13H15FN2O

>  <Molecular Weight>
234.274000

>  <IUPAC Name>
(S)-(4-fluoro-2-propylphenyl)-(1H-imidazol-2-yl)methanol

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=C(C=CC(=C1)F)C(C2=NC=CN2)O

>  <Isomeric SMILES>
CCCC1=C(C=CC(=C1)F)[C@@H](C2=NC=CN2)O

>  <InChI Std. ID>
InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1

>  <InChI Key>
IDFPQEHZYBXIFO-LBPRGKRZSA-N

