3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione

C56H75BrN10O10S2 — CID 160738940

IUPAC3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione
SMILESC=CS(=O)(=O)N1CCC2(CC1)N=C(C1CCC(C(C)C)CC1)NC2=O.Cc1cc(N2C(=O)CNC2=O)ccc1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(C1CCC(C(C)C)CC1)NC2=O.Cc1cc(N2C(=O)CNC2=O)ccc1Br
InChIInChI=1S/C28H37N5O5S.C18H29N3O3S.C10H9BrN2O2/c1-18(2)20-4-6-22(7-5-20)25-30-26(35)28(31-25)11-13-32(14-12-28)39(37,38)15-10-21-8-9-23(16-19(21)3)33-24(34)17-29-27(33)36;1-4-25(23,24)21-11-9-18(10-12-21)17(22)19-16(20-18)15-7-5-14(6-8-15)13(2)3;1-6-4-7(2-3-8(6)11)13-9(14)5-12-10(13)15/h8-10,15-16,18,20,22H,4-7,11-14,17H2,1-3H3,(H,29,36)(H,30,31,35);4,13-15H,1,5-12H2,2-3H3,(H,19,20,22);2-4H,5H2,1H3,(H,12,15)/b15-10+;;
InChIKeyRVHWVHQIPQNTSU-OVWKBUNZSA-N
MW1192.31 g/mol
LogP7.28
Rot. Bonds11

About 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione

3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione (PubChem CID 160738940) has the molecular formula C56H75BrN10O10S2 and a molecular weight of 1192.31 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione
PubChem CID160738940
Molecular FormulaC56H75BrN10O10S2
Molecular Weight1192.31 g/mol
Exact Mass1190.43
IUPAC Name3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione
SMILESC=CS(=O)(=O)N1CCC2(CC1)N=C(C1CCC(C(C)C)CC1)NC2=O.Cc1cc(N2C(=O)CNC2=O)ccc1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(C1CCC(C(C)C)CC1)NC2=O.Cc1cc(N2C(=O)CNC2=O)ccc1Br
InChIInChI=1S/C28H37N5O5S.C18H29N3O3S.C10H9BrN2O2/c1-18(2)20-4-6-22(7-5-20)25-30-26(35)28(31-25)11-13-32(14-12-28)39(37,38)15-10-21-8-9-23(16-19(21)3)33-24(34)17-29-27(33)36;1-4-25(23,24)21-11-9-18(10-12-21)17(22)19-16(20-18)15-7-5-14(6-8-15)13(2)3;1-6-4-7(2-3-8(6)11)13-9(14)5-12-10(13)15/h8-10,15-16,18,20,22H,4-7,11-14,17H2,1-3H3,(H,29,36)(H,30,31,35);4,13-15H,1,5-12H2,2-3H3,(H,19,20,22);2-4H,5H2,1H3,(H,12,15)/b15-10+;;
InChIKeyRVHWVHQIPQNTSU-OVWKBUNZSA-N
XLogP7.28
TPSA256.50 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.31
LogP ≤ 57.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione (CID 160738940) is 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione is C=CS(=O)(=O)N1CCC2(CC1)N=C(C1CCC(C(C)C)CC1)NC2=O.Cc1cc(N2C(=O)CNC2=O)ccc1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(C1CCC(C(C)C)CC1)NC2=O.Cc1cc(N2C(=O)CNC2=O)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is RVHWVHQIPQNTSU-OVWKBUNZSA-N. The full InChI is InChI=1S/C28H37N5O5S.C18H29N3O3S.C10H9BrN2O2/c1-18(2)20-4-6-22(7-5-20)25-30-26(35)28(31-25)11-13-32(14-12-28)39(37,38)15-10-21-8-9-23(16-19(21)3)33-24(34)17-29-27(33)36;1-4-25(23,24)21-11-9-18(10-12-21)17(22)19-16(20-18)15-7-5-14(6-8-15)13(2)3;1-6-4-7(2-3-8(6)11)13-9(14)5-12-10(13)15/h8-10,15-16,18,20,22H,4-7,11-14,17H2,1-3H3,(H,29,36)(H,30,31,35);4,13-15H,1,5-12H2,2-3H3,(H,19,20,22);2-4H,5H2,1H3,(H,12,15)/b15-10+;;.
What are the key properties of 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione?
3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1192.31 g/mol, XLogP of 7.28, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)imidazolidine-2,4-dione;8-ethenylsulfonyl-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;3-[3-methyl-4-[(E)-2-[[4-oxo-2-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160738940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).