49792194
  -OEChem-04182408352D

 36 38  0     1  0  0  0  0  0999 V2000
    3.7320   -2.8512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942    0.1581    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.2421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.6433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5820    0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5765    0.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7576    2.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    0.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    3.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5109    3.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8287    0.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1220    3.0867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7809    1.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 29  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 15  2  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49792194

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
371

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IYAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAQCAAADBzhnw4/kJbJkgCgAzZnZASCgC2xEqAJ2SA4fJiKfqLAmRGUcAhs0APY2CeQwOAOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-fluoro-3-methyl-phenyl)-[5-(2-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(4-fluoro-3-methylphenyl)-[5-(2-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-fluoro-3-methylphenyl)-[5-(2-fluorophenyl)-1<I>H</I>-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_NAME>
(4-fluoro-3-methylphenyl)-[5-(2-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-fluoranyl-3-methyl-phenyl)-[5-(2-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-fluoro-3-methyl-phenyl)-[5-(2-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14F2N2O/c1-10-8-11(6-7-13(10)18)16(22)17-20-9-15(21-17)12-4-2-3-5-14(12)19/h2-9,16,22H,1H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
ZFJDJIQETQILHQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
300.10741940

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14F2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
300.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)C(C2=NC=C(N2)C3=CC=CC=C3F)O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)C(C2=NC=C(N2)C3=CC=CC=C3F)O)F

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.10741940

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  17  8
11  18  8
12  15  8
13  16  8
15  16  8
17  20  8
18  21  8
20  22  8
21  22  8
6  3  3
4  7  8
4  9  8
5  14  8
5  7  8
8  10  8
8  12  8
9  14  8

$$$$