46943887
  -OEChem-04242410222D

 36 38  0     1  0  0  0  0  0999 V2000
    6.0480    4.3965    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    2.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8965    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -3.2625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.5305    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    0.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -0.8087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.1424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    0.9514    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0981    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4602    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779    2.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656    3.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    1.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967   -1.0003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994   -1.0003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9202    1.4679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4835    2.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0448    1.3484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    4.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 35  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 28  1  0  0  0  0
 16 21  1  0  0  0  0
 16 29  1  0  0  0  0
 17 24  1  0  0  0  0
 17 30  1  0  0  0  0
 18 23  2  0  0  0  0
 18 31  1  0  0  0  0
 19 22  1  0  0  0  0
 19 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 25 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46943887

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
444

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IYAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwIQCAAADB7hnzY9kJbJkgCgAzZnZASCgC2xF6AJ2SA4fpiKfqLBmxGUcAhs0APY2CeQwKAOgAAAIACQAAAAAABAASAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H11Cl2F3N2O/c18-10-5-9(6-11(19)7-10)15(25)16-23-8-14(24-16)12-3-1-2-4-13(12)17(20,21)22/h1-8,15,25H,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
BGDDYTKLEUDECV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
386.0200529

> <PUBCHEM_MOLECULAR_FORMULA>
C17H11Cl2F3N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
387.2

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

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

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.0200529

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
11  15  8
12  14  8
12  16  8
13  17  8
13  18  8
14  19  8
16  21  8
17  24  8
18  23  8
19  22  8
21  22  8
23  25  8
24  25  8
9  6  3
7  10  8
7  11  8
8  10  8
8  15  8

$$$$