303177
  -OEChem-06181317572D

 42 44  0     1  0  0  0  0  0999 V2000
    2.5369   -0.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3735    0.9455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    0.2874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5490    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6304    1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3517    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1825   -0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383    2.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7584    2.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7893    2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951    3.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9972    3.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030    4.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    4.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3018    1.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3114   -1.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3248    1.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106    2.6333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920    2.3191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2501    2.4869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5055    3.0703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5869    4.0715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423    4.6549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -4.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -4.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    5.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 34  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  2  0  0  0  0
 13 31  1  0  0  0  0
 14 19  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 22  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
303177

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
334

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAACAAADBzhnwY/kJcMEgCgAzZnZASCgC0xEqAJ2AA4fIiKfiLAmRGUcAhuwAPY2CeQwPAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3-benzyl-2-methyl-imidazol-4-yl)-(p-tolyl)methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(4-methylphenyl)-[2-methyl-3-(phenylmethyl)-4-imidazolyl]methanol

> <PUBCHEM_IUPAC_NAME>
(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-methylphenyl)-[2-methyl-3-(phenylmethyl)imidazol-4-yl]methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-benzyl-2-methyl-imidazol-4-yl)-(p-tolyl)methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20N2O/c1-14-8-10-17(11-9-14)19(22)18-12-20-15(2)21(18)13-16-6-4-3-5-7-16/h3-12,19,22H,13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LDUBFHKGOKKYNV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
292.157563

> <PUBCHEM_MOLECULAR_FORMULA>
C19H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
292.3749

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C(C2=CN=C(N2CC3=CC=CC=C3)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C(C2=CN=C(N2CC3=CC=CC=C3)C)O

> <PUBCHEM_CACTVS_TPSA>
38

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
292.157563

> <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>
10  14  8
10  15  8
12  17  8
13  18  8
14  19  8
15  20  8
16  17  8
16  18  8
19  22  8
2  4  8
2  7  8
20  22  8
3  7  8
3  9  8
4  9  8
5  23  3
8  12  8
8  13  8

$$$$