49791323
  -OEChem-05032420042D

 37 39  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
    2.8660    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9833   -0.5510    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
    6.1808    1.4852    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
    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
    8.5765    0.3626    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
    8.7576    2.0852    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
    9.1643    1.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9778   -0.6555    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
    9.1220    2.5867    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
    9.7809    1.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9130   -1.2721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5944   -0.7203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0426   -0.0389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  1  0  0  0  0
  3 31  1  0  0  0  0
  4 17  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  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 10  1  0  0  0  0
  7 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 19  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 17 22  2  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49791323

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
378

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIQCAAADB7hnyY/lpbJlgCgAzZnZASCiC2xN6AJ2SA+fpiOfqLFuxuUcChs0BPY+Cew0LIOAAABIACAAAAAAAJAAQAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14Cl2N2O2/c1-23-14-4-2-3-10(7-14)15-9-20-17(21-15)16(22)11-5-12(18)8-13(19)6-11/h2-9,16,22H,1H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
XQVYKZWEUXMOHJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
348.0432331

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14Cl2N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
349.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC(=C1)C2=CN=C(N2)C(C3=CC(=CC(=C3)Cl)Cl)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC(=C1)C2=CN=C(N2)C(C3=CC(=CC(=C3)Cl)Cl)O

> <PUBCHEM_CACTVS_TPSA>
58.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
348.0432331

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

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

$$$$