60427325
  -OEChem-04262419502D

 46 49  0     0  0  0  0  0  0999 V2000
    6.1851    4.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    4.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -0.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.2719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.1151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    0.5302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -4.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    3.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    1.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    2.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4957    5.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    4.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -4.0766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -1.7049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.6966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -0.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -1.0368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    0.9917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356    2.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6027    1.4317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    2.9716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0850    4.8840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6883    5.6659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9064    5.2692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2484    4.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272    4.8726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9927    5.3514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 27  1  0  0  0  0
  2 25  1  0  0  0  0
  2 28  1  0  0  0  0
  3 21  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  2  0  0  0  0
  6 20  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10 13  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 16  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 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 24  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60427325

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
534

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB/AAAHgAQAAAADAzBngY/9rfMFACoAzd3dACCiC01MqAJ2CE+/NiNbvLEvZuUMSps1BPK6ae63BLOIAABAAAAQCBAAAIAAACAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[6-(benzimidazol-1-yl)-3-pyridyl]-3,4-dimethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[6-(1-benzimidazolyl)-3-pyridinyl]-3,4-dimethoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[6-(benzimidazol-1-yl)pyridin-3-yl]-3,4-dimethoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[6-(benzimidazol-1-yl)pyridin-3-yl]-3,4-dimethoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[6-(benzimidazol-1-yl)pyridin-3-yl]-3,4-dimethoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[6-(benzimidazol-1-yl)-3-pyridyl]-3,4-dimethoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H18N4O3/c1-27-18-9-7-14(11-19(18)28-2)21(26)24-15-8-10-20(22-12-15)25-13-23-16-5-3-4-6-17(16)25/h3-13H,1-2H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
JUOULJSGWUSXAJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
374.13789045

> <PUBCHEM_MOLECULAR_FORMULA>
C21H18N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
374.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3C=NC4=CC=CC=C43)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3C=NC4=CC=CC=C43)OC

> <PUBCHEM_CACTVS_TPSA>
78.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
374.13789045

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  13  8
12  17  8
13  16  8
14  19  8
15  16  8
15  20  8
17  19  8
18  22  8
18  24  8
22  23  8
23  25  8
24  26  8
25  26  8
4  11  8
4  8  8
5  11  8
5  9  8
6  10  8
6  20  8
8  12  8
8  9  8
9  14  8

$$$$