824226
  -OEChem-04232408572D

 42 46  0     0  0  0  0  0  0999 V2000
    9.9292   -0.2272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4771   -0.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -1.8367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2818    0.9567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5128   -1.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9830   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3849   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9830   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1169   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5128   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1169   -2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5128   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128   -1.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128   -0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0128   -1.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0128   -0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5128   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1169    0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1218    0.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3492   -1.0438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7140   -1.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1169   -2.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200    2.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7028   -2.4349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7028    0.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3228   -2.4349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3228    0.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8228   -1.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8228   -0.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 28  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 29  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  2  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5 20  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6 26  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 26  2  0  0  0  0
 24 37  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
824226

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
493

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/gAAHAAQAAAADAiBHwAx0LbJkACgAyZiZACCgC2hEqAJmSAwdJiIaKLA2dGUJAhokALIyCcQgAAOCACAQAQAACAQAQCACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-(4-aminophenyl)-3<I>H</I>-benzimidazol-5-yl]-3<I>H</I>-benzimidazol-5-amine

> <PUBCHEM_IUPAC_NAME>
2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[6-(6-amino-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16N6/c21-13-4-1-11(2-5-13)19-23-15-7-3-12(9-17(15)25-19)20-24-16-8-6-14(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
PAGZCEHLFCJSPV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
340.14364454

> <PUBCHEM_MOLECULAR_FORMULA>
C20H16N6

> <PUBCHEM_MOLECULAR_WEIGHT>
340.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N)N

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.14364454

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
1  13  8
1  7  8
10  16  8
12  14  8
12  18  8
14  19  8
15  16  8
17  22  8
17  23  8
18  20  8
19  21  8
2  12  8
2  9  8
20  21  8
22  24  8
23  25  8
24  26  8
25  26  8
3  10  8
3  13  8
4  14  8
4  9  8
7  10  8
7  11  8
8  11  8
8  15  8

$$$$