236330
  -OEChem-04262418442D

 34 36  0     1  0  0  0  0  0999 V2000
    2.0000    2.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5114   -0.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4236    2.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146    1.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2326    1.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236    0.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9726   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    0.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4236    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7897   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2784    0.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7897   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    2.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    1.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840   -0.4601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2636   -0.6259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250    1.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8223    1.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3266   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270    1.7604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495   -0.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3266   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236   -3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231    2.8444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    0.7592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  9  2  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  2  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
236330

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
415

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgIQAAAADIqBmCAxAILAAACIAiFSEACCAAAgBQAIiAGABoiIYDKBlzGUIAholSIIiAcYiMCOhAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(4-chlorophenyl)methyl]-5-phenyl-imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(4-chlorophenyl)methyl]-5-phenylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[(4-chlorophenyl)methyl]-5-phenylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
5-[(4-chlorophenyl)methyl]-5-phenylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[(4-chlorophenyl)methyl]-5-phenyl-imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(4-chlorobenzyl)-5-phenyl-hydantoin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13ClN2O2/c17-13-8-6-11(7-9-13)10-16(12-4-2-1-3-5-12)14(20)18-15(21)19-16/h1-9H,10H2,(H2,18,19,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
LUDKHCBYFRDZCK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.2

> <PUBCHEM_EXACT_MASS>
300.0665554

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
300.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)CC3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)CC3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.0665554

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  14  8
10  15  8
12  16  8
13  17  8
14  19  8
15  20  8
16  18  8
17  18  8
19  21  8
20  21  8
6  7  3
8  12  8
8  13  8

$$$$