1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate

C29H25F5N2O5 — CID 143842938

About 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate

1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate (PubChem CID 143842938) has the molecular formula C29H25F5N2O5 and a molecular weight of 576.52 g/mol. Its IUPAC name is 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate.

Molecular Properties

• Compound Name: 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate
• PubChem CID: 143842938
• Molecular Formula: C29H25F5N2O5
• Molecular Weight: 576.52 g/mol
• Exact Mass: 576.17
• IUPAC Name: 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate
• SMILES: COC=O.Cc1ccc(C(=O)c2cc(F)ccc2CN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1
• InChI: InChI=1S/C27H21F5N2O3.C2H4O2/c1-15-4-6-16(7-5-15)23(35)20-12-18(28)9-8-17(20)14-33-25(37)34(24(36)26(33,2)3)19-10-11-22(29)21(13-19)27(30,31)32;1-4-2-3/h4-13H,14H2,1-3H3;2H,1H3
• InChIKey: YOQPEEBKNMEMPT-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 83.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.52
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate (CID 143842938) is 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate.

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

The canonical SMILES for 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate is COC=O.Cc1ccc(C(=O)c2cc(F)ccc2CN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1.

What is the InChIKey of 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate?

The InChIKey is YOQPEEBKNMEMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F5N2O3.C2H4O2/c1-15-4-6-16(7-5-15)23(35)20-12-18(28)9-8-17(20)14-33-25(37)34(24(36)26(33,2)3)19-10-11-22(29)21(13-19)27(30,31)32;1-4-2-3/h4-13H,14H2,1-3H3;2H,1H3.

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

1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate has a molecular weight of 576.52 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-fluoro-2-(4-methylbenzoyl)phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione;methyl formate is sourced from PubChem (CID 143842938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).