68053575
  -OEChem-05132419302D

 34 36  0     0  0  0  0  0  0999 V2000
    3.7320   -1.8776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.6824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600    0.9884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    1.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600    0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1763    1.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7796    2.4670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9977    2.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -1.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500    1.5253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700   -1.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800    0.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  4 30  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  2  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68053575

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
362

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgAQAAAADAjBnwQ/0LfMEACoAzd3dACCgC01EqAJ2KE4dNiIaPLA3ZGUIQhoggLIyacciQCeCAAAQAAAACAQAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,1-dimethyl-2-(3-pyridyl)benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N,1-dimethyl-2-(3-pyridinyl)-5-benzimidazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,1-dimethyl-2-pyridin-3-ylbenzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
N,1-dimethyl-2-pyridin-3-ylbenzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,1-dimethyl-2-pyridin-3-yl-benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,1-dimethyl-2-(3-pyridyl)benzimidazole-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N4O/c1-16-15(20)10-5-6-13-12(8-10)18-14(19(13)2)11-4-3-7-17-9-11/h3-9H,1-2H3,(H,16,20)

> <PUBCHEM_IUPAC_INCHIKEY>
CXKYCPLLSZUGFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
266.11676108

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
266.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CN=CC=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CN=CC=C3)C

> <PUBCHEM_CACTVS_TPSA>
59.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.11676108

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  11  8
11  14  8
12  15  8
12  17  8
15  18  8
18  19  8
2  6  8
2  8  8
3  7  8
3  8  8
5  17  8
5  19  8
6  7  8
6  9  8
7  10  8
9  14  8

$$$$