892339
  -OEChem-05042414432D

 36 39  0     0  0  0  0  0  0999 V2000
    6.5406   -2.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007    0.0450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.3497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    1.3051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -0.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497    0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6097    0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5233    0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5052    1.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3323    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3142    2.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2278    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9296   -1.5615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4173   -0.8902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9555    1.7658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9342    1.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5881   -0.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9388    1.8795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8987    0.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2494    2.8317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7294    2.1728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 10  2  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  2  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
892339

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
483

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oAAAAAAAAAAAAAAAAAAAAWIAAAAwYAAAAAAAAFgB9AAAHgAQAAAADAzBlwQx0LfJkACoA6ZyZACCgC2hEqAJmSG4dNiIaKrAmbGUIAhokALIyGcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-amino-4-(1H-benzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-amino-4-(1H-benzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-amino-4-(1<I>H</I>-benzimidazol-2-yl)-1-phenyl-2<I>H</I>-pyrrol-3-one

> <PUBCHEM_IUPAC_NAME>
5-amino-4-(1H-benzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-azanyl-4-(1H-benzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-amino-4-(1H-benzimidazol-2-yl)-1-phenyl-2-pyrrolin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14N4O/c18-16-15(17-19-12-8-4-5-9-13(12)20-17)14(22)10-21(16)11-6-2-1-3-7-11/h1-9H,10,18H2,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
JRGTTZZSNMTLHT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
290.11676108

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4N3

> <PUBCHEM_CACTVS_TPSA>
75

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.11676108

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
11  14  8
11  15  8
12  13  8
12  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  22  8
20  21  8
3  10  8
3  12  8
4  10  8
4  13  8

$$$$