49786939
  -OEChem-05102405362D

 39 42  0     1  0  0  0  0  0999 V2000
    2.0000   -0.8197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8025   -2.8558    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579    1.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8283    1.2279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6591   -0.3813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    0.5893    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7418    0.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591    0.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6078    1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    0.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    2.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6373   -0.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6078    2.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2338    0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2338    2.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399    1.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399    2.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -0.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480    0.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6994    1.8344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    0.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980   -0.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0709    2.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    3.4412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    0.4512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002   -1.1981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2267    0.1666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2267    3.4758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    1.5676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6756    0.9883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6756    2.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -2.3394    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  6  1  0  0  0  0
  3 36  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 27  1  0  0  0  0
  5  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  2  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 23  2  0  0  0  0
 17 32  1  0  0  0  0
 18 24  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 25 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49786939

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
453

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IQAEAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAADB1AAAHwIQCAAADB7hny49kNbJkgCgAzZnZASCgC2xF6AJ2SA4fpiKfqLBmxGUcAhs0APY2CeQwOAOwAACIAAQAACAAARAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3-chloro-5-fluoro-phenyl)-[5-(2-naphthyl)-1H-imidazol-2-yl]methanol

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3-chloro-5-fluorophenyl)-(5-naphthalen-2-yl-1<I>H</I>-imidazol-2-yl)methanol

> <PUBCHEM_IUPAC_NAME>
(3-chloro-5-fluorophenyl)-(5-naphthalen-2-yl-1H-imidazol-2-yl)methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3-chloranyl-5-fluoranyl-phenyl)-(5-naphthalen-2-yl-1H-imidazol-2-yl)methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-chloro-5-fluoro-phenyl)-[5-(2-naphthyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H14ClFN2O/c21-16-8-15(9-17(22)10-16)19(25)20-23-11-18(24-20)14-6-5-12-3-1-2-4-13(12)7-14/h1-11,19,25H,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
KUVNZUXWVQZCDJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
352.0778689

> <PUBCHEM_MOLECULAR_FORMULA>
C20H14ClFN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
352.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C=C(C=CC2=C1)C3=CN=C(N3)C(C4=CC(=CC(=C4)Cl)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C=C(C=CC2=C1)C3=CN=C(N3)C(C4=CC(=CC(=C4)Cl)F)O

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.0778689

> <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>
10  17  8
10  18  8
11  12  8
11  13  8
11  19  8
13  16  8
13  20  8
15  16  8
17  23  8
18  24  8
19  21  8
20  22  8
21  22  8
23  25  8
24  25  8
6  3  3
4  7  8
4  8  8
5  14  8
5  8  8
7  14  8
9  12  8
9  15  8

$$$$