49789568
  -OEChem-04262411372D

 37 39  0     1  0  0  0  0  0999 V2000
    5.4641   -3.7215    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7215    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6698    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    0.7730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116   -0.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7215    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    2.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9064    3.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6643    1.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    1.1878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    0.0501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    2.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    2.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    4.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1531    4.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7291    0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2809    1.3593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5995    1.9111    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 30  1  0  0  0  0
  4 13  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 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 14 19  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 16 29  1  0  0  0  0
 17 22  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  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>
49789568

> <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+fpiOfqLFuxuUcChu0BPY+CewwKAOAAAAIACIAAAAAABAARAAAAAAAAAAAA==

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

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

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

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

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

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

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

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1C2=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  14  8
10  15  8
11  13  8
11  16  8
13  17  8
14  19  8
15  18  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

$$$$