49792449
  -OEChem-05122402142D

 42 44  0     1  0  0  0  0  0999 V2000
    2.8660    1.1488    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
    3.7320   -0.3512    0.0000 C   0  0  0  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
    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
    2.8660   -1.8512    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
    7.1753    1.3807    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
    5.6808    2.3512    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
    7.5820    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -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
    8.7576    2.0852    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
   10.1588    1.0671    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
    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
    3.7320   -2.9712    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
    7.5109    2.7561    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
    1.6900   -1.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -2.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -1.8143    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
    8.8287   -0.2038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0940    0.4505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7754    1.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236    1.6837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 37  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 27  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 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49792449

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAQCAAADBzhnwY/kJbJkgCgAzZnZASCgC2xEqAJ2SA4fJiKfqLAmRGUcAhs0APY2CeQwOAOQAACAAAAAACAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3,5-dimethylphenyl)-[5-(p-tolyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(3,5-dimethylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanol

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

> <PUBCHEM_IUPAC_NAME>
(3,5-dimethylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3,5-dimethylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3,5-dimethylphenyl)-[5-(p-tolyl)-1H-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20N2O/c1-12-4-6-15(7-5-12)17-11-20-19(21-17)18(22)16-9-13(2)8-14(3)10-16/h4-11,18,22H,1-3H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
JUIKVGJBEZPOGR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
292.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C19H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
292.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C2=CN=C(N2)C(C3=CC(=CC(=C3)C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C2=CN=C(N2)C(C3=CC(=CC(=C3)C)C)O

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
292.157563266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
4  1  3
10  13  8
11  13  8
12  15  8
12  16  8
15  20  8
16  21  8
19  20  8
19  21  8
2  6  8
2  7  8
3  14  8
3  6  8
5  8  8
5  9  8
7  14  8
8  10  8
9  11  8

$$$$