1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C29H25ClF4N2O5S — CID 58171755

About 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58171755) has the molecular formula C29H25ClF4N2O5S and a molecular weight of 625.04 g/mol. Its IUPAC name is 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 58171755
• Molecular Formula: C29H25ClF4N2O5S
• Molecular Weight: 625.04 g/mol
• Exact Mass: 624.11
• IUPAC Name: 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1CC(=O)Cc1ccc(S(C)(=O)=O)cc1
• InChI: InChI=1S/C29H25ClF4N2O5S/c1-28(2)26(38)36(21-8-11-25(31)24(15-21)29(32,33)34)27(39)35(28)16-18-6-7-20(30)13-19(18)14-22(37)12-17-4-9-23(10-5-17)42(3,40)41/h4-11,13,15H,12,14,16H2,1-3H3
• InChIKey: MQKUNDFXRUFXOM-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 91.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.04
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 58171755) is 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1CC(=O)Cc1ccc(S(C)(=O)=O)cc1.

What is the InChIKey of 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is MQKUNDFXRUFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF4N2O5S/c1-28(2)26(38)36(21-8-11-25(31)24(15-21)29(32,33)34)27(39)35(28)16-18-6-7-20(30)13-19(18)14-22(37)12-17-4-9-23(10-5-17)42(3,40)41/h4-11,13,15H,12,14,16H2,1-3H3.

What are the key properties of 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 625.04 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-chloro-2-[3-(4-methylsulfonylphenyl)-2-oxopropyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58171755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).