22332182
  -OEChem-05142410132D

 41 45  0     0  0  0  0  0  0999 V2000
    6.0812   -1.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2597    0.0814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -3.3632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6536   -0.7234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -1.6924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8628    3.2485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9967    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -2.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8628    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -2.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -1.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9967    1.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7288    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -3.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -2.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8628    2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -3.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7288    1.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -1.1644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6530    0.2092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4598    2.0585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2657    0.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548   -3.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848   -2.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748   -3.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2657    2.0585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3997    3.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3258    3.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  1 27  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 10  2  0  0  0  0
  3 12  1  0  0  0  0
  4 11  2  0  0  0  0
  4 13  1  0  0  0  0
  5 14  2  0  0  0  0
  5 15  1  0  0  0  0
  6 22  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 23  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8 12  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 29  1  0  0  0  0
 17 23  2  0  0  0  0
 17 30  1  0  0  0  0
 18 25  2  0  0  0  0
 18 31  1  0  0  0  0
 19 26  2  0  0  0  0
 19 32  1  0  0  0  0
 20 24  2  0  0  0  0
 20 33  1  0  0  0  0
 21 24  1  0  0  0  0
 21 34  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22332182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
460

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7gAAAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFgB/gAAHAAQAAAACAiBFwAx0LbJkACgASZiZACCgC2hEqAJmSAwdJiIaOLA2dGUJAhokALIyCcQgAAAAACAAAQAACAAAQAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridyl]-3H-benzimidazol-5-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[6-(6-amino-1<I>H</I>-benzimidazol-2-yl)pyridin-2-yl]-3<I>H</I>-benzimidazol-5-amine

> <PUBCHEM_IUPAC_NAME>
2-[6-(6-amino-1H-benzimidazol-2-yl)pyridin-2-yl]-3H-benzimidazol-5-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[6-(6-azanyl-1H-benzimidazol-2-yl)pyridin-2-yl]-3H-benzimidazol-5-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridyl]-3H-benzimidazol-5-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15N7/c20-10-4-6-12-16(8-10)25-18(23-12)14-2-1-3-15(22-14)19-24-13-7-5-11(21)9-17(13)26-19/h1-9H,20-21H2,(H,23,25)(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
MRLDMASHZJNTTF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
341.13889351

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15N7

> <PUBCHEM_MOLECULAR_WEIGHT>
341.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=NC(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=NC(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N

> <PUBCHEM_CACTVS_TPSA>
122

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.13889351

> <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  10  8
1  8  8
12  18  8
13  19  8
14  20  8
15  21  8
16  22  8
17  23  8
18  25  8
19  26  8
2  11  8
2  9  8
20  24  8
21  24  8
22  25  8
23  26  8
3  10  8
3  12  8
4  11  8
4  13  8
5  14  8
5  15  8
8  12  8
8  16  8
9  13  8
9  17  8

$$$$