5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C18H12BrF3N2O3 — CID 155529560

IUPAC5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Br)cc2F)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H12BrF3N2O3/c1-18(12-5-2-9(19)6-14(12)22)16(26)24(17(27)23-18)8-15(25)11-4-3-10(20)7-13(11)21/h2-7H,8H2,1H3,(H,23,27)
InChIKeyPUIWKZHERICVFV-UHFFFAOYSA-N
MW441.20 g/mol
LogP3.52
Rot. Bonds4

About 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 155529560) has the molecular formula C18H12BrF3N2O3 and a molecular weight of 441.20 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID155529560
Molecular FormulaC18H12BrF3N2O3
Molecular Weight441.20 g/mol
Exact Mass440.00
IUPAC Name5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Br)cc2F)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H12BrF3N2O3/c1-18(12-5-2-9(19)6-14(12)22)16(26)24(17(27)23-18)8-15(25)11-4-3-10(20)7-13(11)21/h2-7H,8H2,1H3,(H,23,27)
InChIKeyPUIWKZHERICVFV-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93266434
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 155560615
2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 103821056
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7801414
3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 155535755
N-cyclopentyl-N-cyclopropyl-2-[4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 87019809
4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 155539548
N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 155550370
5-(2,4-difluorophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 110005287

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 155529560) is 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(Br)cc2F)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PUIWKZHERICVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2O3/c1-18(12-5-2-9(19)6-14(12)22)16(26)24(17(27)23-18)8-15(25)11-4-3-10(20)7-13(11)21/h2-7H,8H2,1H3,(H,23,27).
What are the key properties of 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 441.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155529560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).