49795644
  -OEChem-04182422332D

 36 38  0     1  0  0  0  0  0999 V2000
    2.0000    4.3398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7147   -5.0442    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147   -4.0442    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7147   -4.0442    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970    2.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5238    0.5435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147    1.4946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025    2.3036    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2147    1.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147   -1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057    0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808   -1.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487   -1.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    4.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147   -3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808   -2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487   -2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    4.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    5.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147   -4.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1669    2.8052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1134    0.3519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161    0.3519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1177   -1.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118   -1.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    2.8201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002    3.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1177   -2.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118   -2.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1615    2.7007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413    5.4413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    5.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 34  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  2  0  0  0  0
 15 29  1  0  0  0  0
 16 21  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795644

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
415

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IYAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwIQCAAADB7hnzY9kJbJkgCgAzZnZASCgC2xF6AJ2SA4fpiKfqLBmxGUcAhs0APY2CeQwOAOQAAAIAAAAACAAABAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3-chlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(3-chlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3-chlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1<I>H</I>-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_NAME>
(3-chlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3-chlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-chlorophenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H12ClF3N2O/c18-13-3-1-2-11(8-13)15(24)16-22-9-14(23-16)10-4-6-12(7-5-10)17(19,20)21/h1-9,15,24H,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
YMJYKHBIXZQNDP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
352.0590252

> <PUBCHEM_MOLECULAR_FORMULA>
C17H12ClF3N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
352.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)Cl)C(C2=NC=C(N2)C3=CC=C(C=C3)C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)Cl)C(C2=NC=C(N2)C3=CC=C(C=C3)C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.0590252

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  16  8
11  17  8
12  14  8
12  15  8
14  19  8
15  20  8
16  21  8
17  22  8
18  19  8
18  20  8
21  23  8
22  23  8
8  5  3
6  10  8
6  9  8
7  13  8
7  9  8

$$$$