4153348
  -OEChem-06191317122D

 31 32  0     0  0  0  0  0  0999 V2000
    6.2619   -1.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.2360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.0407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619   -0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3819    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.9900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1419   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3819   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3819   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619   -0.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1419    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719    0.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 26  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4 10  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  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
M  END
> <PUBCHEM_COMPOUND_CID>
4153348

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
272

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADgiBlgAz0LbJkACoASVydACCgC2hEqAJmSEwdJiIaKLAmZGUIAhokQJIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1H-benzimidazol-2-yl)-2,2-dimethyl-propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1H-benzimidazol-2-yl)-2,2-dimethylpropanamide

> <PUBCHEM_IUPAC_NAME>
N-(1H-benzimidazol-2-yl)-2,2-dimethylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(1H-benzimidazol-2-yl)-2,2-dimethyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1H-benzimidazol-2-yl)-2,2-dimethyl-propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H15N3O/c1-12(2,3)10(16)15-11-13-8-6-4-5-7-9(8)14-11/h4-7H,1-3H3,(H2,13,14,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
GQPZEKSQGMRKGU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.5

> <PUBCHEM_EXACT_MASS>
217.121512

> <PUBCHEM_MOLECULAR_FORMULA>
C12H15N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
217.267

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)C(=O)NC1=NC2=CC=CC=C2N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)C(=O)NC1=NC2=CC=CC=C2N1

> <PUBCHEM_CACTVS_TPSA>
57.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
217.121512

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
3  10  8
3  11  8
4  10  8
4  12  8

$$$$