1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C19H14BrF5N2O2 — CID 59384224

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1Br
InChIInChI=1S/C19H14BrF5N2O2/c1-18(2)16(28)27(12-5-6-15(22)13(8-12)19(23,24)25)17(29)26(18)9-10-3-4-11(21)7-14(10)20/h3-8H,9H2,1-2H3
InChIKeyNJSRCCBGWPPYOP-UHFFFAOYSA-N
MW477.23 g/mol
LogP5.49
Rot. Bonds3

About 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 59384224) has the molecular formula C19H14BrF5N2O2 and a molecular weight of 477.23 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID59384224
Molecular FormulaC19H14BrF5N2O2
Molecular Weight477.23 g/mol
Exact Mass476.02
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1Br
InChIInChI=1S/C19H14BrF5N2O2/c1-18(2)16(28)27(12-5-6-15(22)13(8-12)19(23,24)25)17(29)26(18)9-10-3-4-11(21)7-14(10)20/h3-8H,9H2,1-2H3
InChIKeyNJSRCCBGWPPYOP-UHFFFAOYSA-N
XLogP5.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.23
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 59384224) is 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)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(F)cc1Br.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is NJSRCCBGWPPYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF5N2O2/c1-18(2)16(28)27(12-5-6-15(22)13(8-12)19(23,24)25)17(29)26(18)9-10-3-4-11(21)7-14(10)20/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 477.23 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59384224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).