675
  -OEChem-12051111272D

 21 22  0     0  0  0  0  0  0999 V2000
    5.5443    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
675

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
147

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAQAAAADAiBHgQ30LbJkACgAyRjZACCgC2xEqAB2aA4dJiIaKLAmZGUIAhokAJIyCcQgIAOiAAAQAAQACAQAACAACAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,6-dimethyl-1H-benzimidazole

> <PUBCHEM_IUPAC_CAS_NAME>
5,6-dimethyl-1H-benzimidazole

> <PUBCHEM_IUPAC_NAME>
5,6-dimethyl-1H-benzimidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,6-dimethyl-1H-benzimidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,6-dimethyl-1H-benzimidazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
LJUQGASMPRMWIW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.4

> <PUBCHEM_EXACT_MASS>
146.084398

> <PUBCHEM_MOLECULAR_FORMULA>
C9H10N2

> <PUBCHEM_MOLECULAR_WEIGHT>
146.1891

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1C)N=CN2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1C)N=CN2

> <PUBCHEM_CACTVS_TPSA>
28.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
146.084398

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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  11  8
1  3  8
2  11  8
2  6  8
3  6  8
3  7  8
4  5  8
4  7  8
5  8  8
6  8  8

$$$$