5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione

C18H10BrF5N2O3 — CID 155560615

IUPAC5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)NC(c2ccc(Br)cc2)(C(F)(F)F)C1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H10BrF5N2O3/c19-10-3-1-9(2-4-10)17(18(22,23)24)15(28)26(16(29)25-17)8-14(27)12-6-5-11(20)7-13(12)21/h1-7H,8H2,(H,25,29)
InChIKeyVKRFHQNMGFCHQD-UHFFFAOYSA-N
MW477.18 g/mol
LogP3.92
Rot. Bonds4

About 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione

5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 155560615) has the molecular formula C18H10BrF5N2O3 and a molecular weight of 477.18 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID155560615
Molecular FormulaC18H10BrF5N2O3
Molecular Weight477.18 g/mol
Exact Mass475.98
IUPAC Name5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)NC(c2ccc(Br)cc2)(C(F)(F)F)C1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H10BrF5N2O3/c19-10-3-1-9(2-4-10)17(18(22,23)24)15(28)26(16(29)25-17)8-14(27)12-6-5-11(20)7-13(12)21/h1-7H,8H2,(H,25,29)
InChIKeyVKRFHQNMGFCHQD-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.18
LogP ≤ 53.92
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

5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155529560
3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 155535755
4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 155539548
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 155550370
(5R)-5-(4-fluorophenyl)-3-(furan-2-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 7378893
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763175
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
(5R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 27141300
3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24622962

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 155560615) is 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is O=C(CN1C(=O)NC(c2ccc(Br)cc2)(C(F)(F)F)C1=O)c1ccc(F)cc1F.
What is the InChIKey of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is VKRFHQNMGFCHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF5N2O3/c19-10-3-1-9(2-4-10)17(18(22,23)24)15(28)26(16(29)25-17)8-14(27)12-6-5-11(20)7-13(12)21/h1-7H,8H2,(H,25,29).
What are the key properties of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 477.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 155560615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).