3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione

C10H9BrN2O2 — CID 4609446

IUPAC3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(Br)C1=O
InChIInChI=1S/C10H9BrN2O2/c1-10(7-5-3-2-4-6-7)8(14)13(11)9(15)12-10/h2-6H,1H3,(H,12,15)
InChIKeyTXBUUBUPOLSUKO-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.76
Rot. Bonds1

About 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione

3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 4609446) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID4609446
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(Br)C1=O
InChIInChI=1S/C10H9BrN2O2/c1-10(7-5-3-2-4-6-7)8(14)13(11)9(15)12-10/h2-6H,1H3,(H,12,15)
InChIKeyTXBUUBUPOLSUKO-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione (CID 4609446) is 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(Br)C1=O.
What is the InChIKey of 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is TXBUUBUPOLSUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-10(7-5-3-2-4-6-7)8(14)13(11)9(15)12-10/h2-6H,1H3,(H,12,15).
What are the key properties of 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione?
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 269.10 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 4609446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).