66965832
  -OEChem-04252422392D

 51 55  0     0  0  0  0  0  0999 V2000
    9.1279    1.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836    0.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836   -1.2060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    0.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298   -0.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958    0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958   -1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920    0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920    1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4859    0.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4859    2.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3920    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3920    1.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910    0.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958    1.2187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958   -2.0213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988   -1.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    1.0017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    1.0208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    1.8677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631    1.6408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631   -2.4434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100   -2.6703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369   -1.8234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -0.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260   -0.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3230    1.9087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260    2.7187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4788   -0.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4788    2.7533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9278    0.2658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9278    1.9316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 31  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 16  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  2  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 27  2  0  0  0  0
 23 26  1  0  0  0  0
 23 28  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 30  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  2  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66965832

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
599

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFjB9AAAHgAQAAAADAiBnwAz0PbJkACoAydydACCgC2lEqAJmSEwdNiIaLLAnZGUIQholALIyaccicCeiAACQAAQACAQAASAACAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,6-dimethylphenyl)-N-(2-naphthyl)-3H-benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2,6-dimethylphenyl)-N-(2-naphthalenyl)-3H-benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,6-dimethylphenyl)-<I>N</I>-naphthalen-2-yl-3<I>H</I>-benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-(2,6-dimethylphenyl)-N-naphthalen-2-yl-3H-benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2,6-dimethylphenyl)-N-naphthalen-2-yl-3H-benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2,6-dimethylphenyl)-N-(2-naphthyl)-3H-benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H21N3O/c1-16-6-5-7-17(2)24(16)25-28-22-13-11-20(15-23(22)29-25)26(30)27-21-12-10-18-8-3-4-9-19(18)14-21/h3-15H,1-2H3,(H,27,30)(H,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
ANTYGPIHDPSBMD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6

> <PUBCHEM_EXACT_MASS>
391.168462302

> <PUBCHEM_MOLECULAR_FORMULA>
C26H21N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
391.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)C)C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)C)C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4

> <PUBCHEM_CACTVS_TPSA>
57.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
391.168462302

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  16  8
11  12  8
12  14  8
13  14  8
15  20  8
16  20  8
2  6  8
2  7  8
21  24  8
21  25  8
22  23  8
22  24  8
22  27  8
23  26  8
23  28  8
25  26  8
27  29  8
28  30  8
29  30  8
3  6  8
3  8  8
5  10  8
5  9  8
7  11  8
7  8  8
8  13  8
9  15  8

$$$$