11277418
  -OEChem-04262407352D

 35 37  0     0  0  0  0  0  0999 V2000
    4.6701   -4.0352    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.3126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5030    2.8795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197    3.6722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0305    1.9363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    1.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585    4.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2304    4.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    3.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    2.5712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    4.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052    4.0807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2947    0.8048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5511    0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -1.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -1.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -2.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -2.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11277418

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
371

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAQAAAAA8QAAAAAAAAAABAAAAHgIAAAAACArBECQxwIMAAACoACZidACCAAEhBwAJiAAYZoiIYCLBm5GUIAhghgLIyCcQAAAAAABAAAAAAAAAAIAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(4-chlorophenyl)-5-(1-piperidyl)-4H-imidazol-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(4-chlorophenyl)-5-(1-piperidinyl)-4H-imidazol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(4-chlorophenyl)-5-piperidin-1-yl-4<I>H</I>-imidazol-2-one

> <PUBCHEM_IUPAC_NAME>
3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-chlorophenyl)-4-piperidino-3-imidazolin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16ClN3O/c15-11-4-6-12(7-5-11)18-10-13(16-14(18)19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
YGXIELIREXEJQN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
277.0981898

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
277.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
35.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
277.0981898

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8

$$$$