49789966
  -OEChem-04262418432D

 33 35  0     1  0  0  0  0  0999 V2000
    5.4641   -2.3512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.5981    1.1488    0.0000 C   0  0  0  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
    6.1808    1.4852    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
    2.8660   -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
    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
    4.5981   -1.8512    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
    3.7320   -2.3512    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
    5.6405    0.1356    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
    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
    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
    2.3291    0.8388    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
    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 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 30  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 17  2  0  0  0  0
 14 27  1  0  0  0  0
 15 20  1  0  0  0  0
 15 28  1  0  0  0  0
 16 21  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49789966

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IQAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwIQCAAADB7hny49kJbJkgCgAzZnZASCgC2xF6AJ2SA4fpiKfqLBmxGUcAhs0APY2CeQwKAOAAAAIACAAAAAAABAAQAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11Cl2FN2O/c17-11-4-10(5-12(18)7-11)15(22)16-20-8-14(21-16)9-2-1-3-13(19)6-9/h1-8,15,22H,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
HPMPJYJYZOKKOJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
336.0232465

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11Cl2FN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
337.2

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

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

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
336.0232465

> <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  12  8
11  15  8
11  16  8
13  18  8
14  17  8
15  20  8
16  21  8
17  19  8
18  19  8
20  22  8
21  22  8
7  4  3
5  10  8
5  8  8
6  12  8
6  8  8
9  13  8
9  14  8

$$$$