49795561
  -OEChem-05102419302D

 39 41  0     1  0  0  0  0  0999 V2000
    8.9833   -0.5510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.7420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.1433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5820    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5765    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7576    2.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    0.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    2.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -2.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -1.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2176   -0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5109    2.7561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1220    2.5867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7809    1.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2 35  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795561

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAQCAAADBzhnw4/kJbJkgCgAzZnZASCgC2xEqAJ2SA4fJiKfqLAmRGUcAhs0APY2CeQwOAOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3,5-dimethylphenyl)-[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(3,5-dimethylphenyl)-[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3,5-dimethylphenyl)-[5-(3-fluorophenyl)-1<I>H</I>-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_NAME>
(3,5-dimethylphenyl)-[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3,5-dimethylphenyl)-[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3,5-dimethylphenyl)-[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17FN2O/c1-11-6-12(2)8-14(7-11)17(22)18-20-10-16(21-18)13-4-3-5-15(19)9-13/h3-10,17,22H,1-2H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
ZMAGHFCPNCXQEW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
296.13249133

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17FN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
296.3

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

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

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.13249133

> <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  15  8
11  13  8
12  13  8
14  18  8
14  19  8
18  20  8
19  21  8
5  2  3
20  22  8
21  22  8
3  10  8
3  7  8
4  15  8
4  7  8
6  8  8
6  9  8
8  11  8
9  12  8

$$$$