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

C10H7BrN2O4 — CID 54967851

IUPAC1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(Br)cc1N1C(=O)NC(=O)C1=O
InChIInChI=1S/C10H7BrN2O4/c1-17-7-3-2-5(11)4-6(7)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16)
InChIKeyVDBPIVDAMKJQSY-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.04
Rot. Bonds2

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

1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 54967851) has the molecular formula C10H7BrN2O4 and a molecular weight of 299.08 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID54967851
Molecular FormulaC10H7BrN2O4
Molecular Weight299.08 g/mol
Exact Mass297.96
IUPAC Name1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(Br)cc1N1C(=O)NC(=O)C1=O
InChIInChI=1S/C10H7BrN2O4/c1-17-7-3-2-5(11)4-6(7)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16)
InChIKeyVDBPIVDAMKJQSY-UHFFFAOYSA-N
XLogP1.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione (CID 54967851) is 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione is COc1ccc(Br)cc1N1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is VDBPIVDAMKJQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4/c1-17-7-3-2-5(11)4-6(7)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione?
1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 299.08 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 54967851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).