49789836
  -OEChem-04182406452D

 39 42  0     1  0  0  0  0  0999 V2000
    2.0000   -1.2765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7579    1.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8283    0.7711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6591   -0.8380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    0.1325    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7418    0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6078    0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768   -0.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6078    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6373   -0.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2338    0.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2338    2.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399    0.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399    1.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480    0.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6994    1.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739   -0.2556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0709    2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980   -1.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    2.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2267   -0.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301   -0.0056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002   -1.6548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2267    3.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6756    0.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6756    2.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    1.1109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -2.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -2.7961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  5  1  0  0  0  0
  2 37  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  2  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  2  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  2  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 22  1  0  0  0  0
 17 32  1  0  0  0  0
 18 23  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49789836

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAEAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAADB1AAAHgIQCAAADB7hnyY9kNbJkgCgAzZnZASCgC2xF6AJ2SA4fpiKfqLBmxGUcAhs0APY2CeQwOAOwAACIAAQAACAAARAACAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15ClN2O/c21-17-7-3-6-16(11-17)19(24)20-22-12-18(23-20)15-9-8-13-4-1-2-5-14(13)10-15/h1-12,19,24H,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
DXXROYBYPLFSMK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
334.0872908

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
334.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C=C(C=CC2=C1)C3=CN=C(N3)C(C4=CC(=CC=C4)Cl)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C=C(C=CC2=C1)C3=CN=C(N3)C(C4=CC(=CC=C4)Cl)O

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.0872908

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  17  8
10  18  8
12  15  8
12  19  8
13  15  8
16  20  8
17  22  8
18  23  8
19  21  8
5  2  3
20  21  8
22  24  8
23  24  8
3  6  8
3  7  8
4  14  8
4  7  8
6  14  8
8  11  8
8  13  8
9  11  8
9  12  8
9  16  8

$$$$