1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione

C9H4BrFN2O3 — CID 43153915

IUPAC1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2ccc(F)cc2Br)C1=O
InChIInChI=1S/C9H4BrFN2O3/c10-5-3-4(11)1-2-6(5)13-8(15)7(14)12-9(13)16/h1-3H,(H,12,14,16)
InChIKeyPGQZSTVQQOSBLZ-UHFFFAOYSA-N
MW287.04 g/mol
LogP1.17
Rot. Bonds1

About 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione

1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione (PubChem CID 43153915) has the molecular formula C9H4BrFN2O3 and a molecular weight of 287.04 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione
PubChem CID43153915
Molecular FormulaC9H4BrFN2O3
Molecular Weight287.04 g/mol
Exact Mass285.94
IUPAC Name1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2ccc(F)cc2Br)C1=O
InChIInChI=1S/C9H4BrFN2O3/c10-5-3-4(11)1-2-6(5)13-8(15)7(14)12-9(13)16/h1-3H,(H,12,14,16)
InChIKeyPGQZSTVQQOSBLZ-UHFFFAOYSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-chlorophenyl)imidazolidine-2,4,5-trione
CID 81275183
1-(2-bromophenyl)imidazolidine-2,4,5-trione
CID 43153907
1-(2-bromo-4-fluorophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946553
2-(2-bromo-4-fluorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 43119457
2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione
CID 1103022
1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
CID 54967851
1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione
CID 103481044
2-bromo-4-fluorophenolate
CID 154609480
2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 107640958
1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione
CID 79050319
4-(2-bromo-4-fluorophenyl)-1,2,4-triazole
CID 84703033
1-(2-bromo-4-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64962920

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione (CID 43153915) is 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(c2ccc(F)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione?
The InChIKey is PGQZSTVQQOSBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFN2O3/c10-5-3-4(11)1-2-6(5)13-8(15)7(14)12-9(13)16/h1-3H,(H,12,14,16).
What are the key properties of 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione?
1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione has a molecular weight of 287.04 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 43153915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).