49792093
  -OEChem-04262408572D

 36 38  0     1  0  0  0  0  0999 V2000
    4.4499    5.2920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    5.5010    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.5010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.5010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0823    1.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    0.0868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878    1.8468    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810    2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    0.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2688    3.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865    2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    4.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2798    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3400    1.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987   -0.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013   -0.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854    3.5046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    2.3633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4467    2.2439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    3.8433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 25  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 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 21  2  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 17 31  1  0  0  0  0
 18 23  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 25  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49792093

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
446

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IYAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwIQCAAADB7hnzY9kJbJkgCgAzZnZASCgC2xF6AJ22A4fpiKfqLBmxGUcAhs0APY2CeQwOAORAAAIAAAAASIAABAAAAACAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
HXZQADNMZIZIRI-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(=CC=C1C2=CN=C(N2)C(C3=CC(=C(C=C3)Cl)Cl)O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CN=C(N2)C(C3=CC(=C(C=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  14  8
12  17  8
12  18  8
13  15  8
13  16  8
15  20  8
16  21  8
17  22  8
18  23  8
19  20  8
19  21  8
22  24  8
23  24  8
9  6  3
7  10  8
7  11  8
8  10  8
8  14  8

$$$$