49790119
  -OEChem-05042411252D

 45 48  0     1  0  0  0  0  0999 V2000
    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
    4.5768   -0.2197    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
    7.7418    0.8212    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
    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
    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
   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
    7.6373   -0.1734    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
    3.4013   -1.8378    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
    2.0000   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025   -2.8558    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
    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
    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
    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
    3.0368   -2.3394    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
    2.0648   -0.2031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -1.4363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361   -3.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547   -3.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3689   -2.6037    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
   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
   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
  1  4  1  0  0  0  0
  1 41  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 27  1  0  0  0  0
  3  6  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8 14  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  2  0  0  0  0
 10 29  1  0  0  0  0
 11 17  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 22  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  1  0  0  0  0
 16 23  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49790119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
432

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAADB1AAAHgAQCAAADBzhnwY/kNbJkgCgAzZnZASCgC2xEqAJ2SA4fJiKfqLAmRGUcAhs0APY2CeQwOAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

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

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

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

> <PUBCHEM_IUPAC_NAME>
(3,5-dimethylphenyl)-(5-naphthalen-2-yl-1H-imidazol-2-yl)methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3,5-dimethylphenyl)-(5-naphthalen-2-yl-1H-imidazol-2-yl)methanol

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H20N2O/c1-14-9-15(2)11-19(10-14)21(25)22-23-13-20(24-22)18-8-7-16-5-3-4-6-17(16)12-18/h3-13,21,25H,1-2H3,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
HZCAWYVJOBSPKH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
328.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C22H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
328.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC(=C1)C(C2=NC=C(N2)C3=CC4=CC=CC=C4C=C3)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC(=C1)C(C2=NC=C(N2)C3=CC4=CC=CC=C4C=C3)O)C

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.157563266

> <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>
4  1  3
10  12  8
11  17  8
12  17  8
13  14  8
13  16  8
13  22  8
16  19  8
16  23  8
18  19  8
2  6  8
2  7  8
22  24  8
23  25  8
24  25  8
3  15  8
3  6  8
5  10  8
5  9  8
7  15  8
8  14  8
8  18  8
9  11  8

$$$$