60527311
  -OEChem-04262410002D

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    7.7619   -0.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6670   -1.7994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.8404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.3772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -2.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   -1.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2732   -0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -3.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6455   -2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1979   -2.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   -3.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1979   -3.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    3.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    3.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    2.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591   -0.5332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4669   -3.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5176   -2.6123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2522   -2.1335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7734   -1.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610   -2.1565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419    0.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   -4.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610   -3.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    3.9754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    1.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    3.9754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    2.5725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 35  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  1  0  0  0  0
  4 36  1  0  0  0  0
  5 13  2  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  2  0  0  0  0
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  8  9  1  0  0  0  0
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  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
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 10 21  2  0  0  0  0
 12 22  2  0  0  0  0
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 19 20  2  0  0  0  0
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 21 25  1  0  0  0  0
 21 39  1  0  0  0  0
 22 26  1  0  0  0  0
 22 40  1  0  0  0  0
 23 27  1  0  0  0  0
 23 41  1  0  0  0  0
 24 28  1  0  0  0  0
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 25 43  1  0  0  0  0
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 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60527311

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
569

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADAiBnwQz0PfNkACoAydydACCgC2nEqAJ2SG4dNiIaPLA3bGUIQholALIyacYiYCeAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methyl-indole-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methyl-2-indolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(1<I>H</I>-benzimidazol-2-yl)phenyl]-1-methylindole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methylindole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methyl-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-methyl-indole-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18N4O/c1-27-20-13-7-2-8-15(20)14-21(27)23(28)26-17-10-4-3-9-16(17)22-24-18-11-5-6-12-19(18)25-22/h2-14H,1H3,(H,24,25)(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
HXQIKSHDOGPENK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
366.14806121

> <PUBCHEM_MOLECULAR_FORMULA>
C23H18N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
366.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4

> <PUBCHEM_CACTVS_TPSA>
62.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.14806121

> <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  12  8
10  21  8
12  22  8
14  19  8
16  20  8
17  18  8
17  23  8
18  24  8
19  20  8
2  6  8
2  7  8
21  25  8
22  26  8
23  27  8
24  28  8
25  26  8
27  28  8
4  13  8
4  17  8
5  13  8
5  18  8
6  14  8
6  8  8
7  9  8
8  16  8
8  9  8

$$$$