493038
  -OEChem-04252410222D

 53 57  0     0  0  0  0  0  0999 V2000
    4.5981   -0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920   -2.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.1887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920   -0.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0920   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0920   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5920   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5920   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5920   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5920   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0920   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010    1.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820    1.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4020    1.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4020   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9020    0.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2820    0.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2820   -2.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9020    0.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9020   -2.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7120   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 22  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 34  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  5 42  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  0  0  0  0
  6 43  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 10  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
 15 38  1  0  0  0  0
 16 19  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  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
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 44  1  0  0  0  0
 25 29  2  0  0  0  0
 25 45  1  0  0  0  0
 26 31  1  0  0  0  0
 26 46  1  0  0  0  0
 27 32  2  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 33  2  0  0  0  0
 31 51  1  0  0  0  0
 32 33  1  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
493038

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
665

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQAAAADAiBnwAx0LbJkACoAydydACCgC2lEqAJmSEwdNiIaLLA3dGUJQholALIyacYiACOCACAAAQAACAQAQAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(6-benzamido-1<I>H</I>-benzimidazol-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H20N4O2/c32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h1-17H,(H,28,32)(H,29,33)(H,30,31)

> <PUBCHEM_IUPAC_INCHIKEY>
HNFDASCPIUGCNQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.9

> <PUBCHEM_EXACT_MASS>
432.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C27H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
432.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=O)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=O)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
86.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
432.15862589

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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  15  8
10  16  8
11  12  8
12  14  8
13  14  8
15  18  8
16  19  8
17  18  8
17  19  8
21  24  8
21  25  8
23  26  8
23  27  8
24  28  8
25  29  8
26  31  8
27  32  8
28  30  8
29  30  8
3  7  8
3  9  8
31  33  8
32  33  8
4  8  8
4  9  8
7  11  8
7  8  8
8  13  8

$$$$