1-(2-bromophenyl)imidazolidine-2,4,5-trione

C9H5BrN2O3 — CID 43153907

IUPAC1-(2-bromophenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2ccccc2Br)C1=O
InChIInChI=1S/C9H5BrN2O3/c10-5-3-1-2-4-6(5)12-8(14)7(13)11-9(12)15/h1-4H,(H,11,13,15)
InChIKeySRSBLLQVFQEICI-UHFFFAOYSA-N
MW269.05 g/mol
LogP1.03
Rot. Bonds1

About 1-(2-bromophenyl)imidazolidine-2,4,5-trione

1-(2-bromophenyl)imidazolidine-2,4,5-trione (PubChem CID 43153907) has the molecular formula C9H5BrN2O3 and a molecular weight of 269.05 g/mol. Its IUPAC name is 1-(2-bromophenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-bromophenyl)imidazolidine-2,4,5-trione
PubChem CID43153907
Molecular FormulaC9H5BrN2O3
Molecular Weight269.05 g/mol
Exact Mass267.95
IUPAC Name1-(2-bromophenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2ccccc2Br)C1=O
InChIInChI=1S/C9H5BrN2O3/c10-5-3-1-2-4-6(5)12-8(14)7(13)11-9(12)15/h1-4H,(H,11,13,15)
InChIKeySRSBLLQVFQEICI-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 51.03
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-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione
CID 43153915
1-(2-bromo-3-chlorophenyl)imidazolidine-2,4,5-trione
CID 103481044
1-(2-phenylphenyl)imidazolidine-2,4,5-trione
CID 43153855
1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione
CID 112597653
1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione
CID 43331591
1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione
CID 79043323
2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43385968
1-(2-bromophenyl)-3,4-dihydroquinoxalin-2-one
CID 117006515
1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione
CID 115945625
1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
CID 54967851
(3aR,7aS)-2-(2-bromophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2267253

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-bromophenyl)imidazolidine-2,4,5-trione (CID 43153907) is 1-(2-bromophenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-bromophenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-bromophenyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)imidazolidine-2,4,5-trione?
The InChIKey is SRSBLLQVFQEICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O3/c10-5-3-1-2-4-6(5)12-8(14)7(13)11-9(12)15/h1-4H,(H,11,13,15).
What are the key properties of 1-(2-bromophenyl)imidazolidine-2,4,5-trione?
1-(2-bromophenyl)imidazolidine-2,4,5-trione has a molecular weight of 269.05 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 43153907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).