5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione

C10H9BrN2O2 — CID 105401742

IUPAC5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2NC(=O)NC2=O)cc1Br
InChIInChI=1S/C10H9BrN2O2/c1-5-2-3-6(4-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyXLNIUSDSOYMOGI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.64
Rot. Bonds1

About 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione

5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 105401742) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
PubChem CID105401742
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2NC(=O)NC2=O)cc1Br
InChIInChI=1S/C10H9BrN2O2/c1-5-2-3-6(4-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyXLNIUSDSOYMOGI-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 105404308
2-bromo-4-cyclopropyl-1-methylbenzene
CID 66521055
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)imidazolidine-2,4-dione
CID 70273505
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
oxolan-2-ylmethyl 4-(3-bromo-4-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2966209
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 60693099
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 102838029
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
(4R)-4-(3-bromo-4-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187987

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione (CID 105401742) is 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2NC(=O)NC2=O)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is XLNIUSDSOYMOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-5-2-3-6(4-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione?
5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 269.10 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 105401742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).