69945619
  -OEChem-05142412522D

 36 36  0     0  0  0  0  0  0999 V2000
    5.6746    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9214    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7878    9.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    4.9219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7448    9.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    4.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5236    5.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    3.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7966    4.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021    6.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558    6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    5.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    7.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8128    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1664    7.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347    4.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347    3.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4556    8.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4341    8.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4166    4.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9162    5.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2491    6.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    5.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4194    7.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524    8.0287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    2.4972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9977    4.9272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9977    3.3072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4547    8.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0479    8.8429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3514   10.0086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3307   10.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6746    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    4.9214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3 20  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 21  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 17  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69945619

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQAAAADAzBngQ10LdMEACoA6RzZACCgC01EqAJ2KG4dNiIaPLAnZGUIQhogALIyacYiYCeCAAAAAAAACAQAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-1-[4-(benzimidazol-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-1-[4-(1-benzimidazolyl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-1-[4-(benzimidazol-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
2-amino-1-[4-(benzimidazol-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-1-[4-(benzimidazol-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-1-[4-(benzimidazol-1-yl)phenyl]ethanone;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H13N3O.2ClH/c16-9-15(19)11-5-7-12(8-6-11)18-10-17-13-3-1-2-4-14(13)18;;/h1-8,10H,9,16H2;2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
ZLQNHKQCCCTSBF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
323.0592175

> <PUBCHEM_MOLECULAR_FORMULA>
C15H15Cl2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
324.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C(=O)CN.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C(=O)CN.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
60.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.0592175

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
12  16  8
13  18  8
14  15  8
14  16  8
17  19  8
18  19  8
4  10  8
4  7  8
5  10  8
5  9  8
7  13  8
7  9  8
8  11  8
8  12  8
9  17  8

$$$$