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

C10H9BrN2O2 — CID 107841901

IUPAC3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione
SMILESCc1c(Br)cccc1N1C(=O)CNC1=O
InChIInChI=1S/C10H9BrN2O2/c1-6-7(11)3-2-4-8(6)13-9(14)5-12-10(13)15/h2-4H,5H2,1H3,(H,12,15)
InChIKeyKKOUNLBJYWUMQR-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.81
Rot. Bonds1

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

3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione (PubChem CID 107841901) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione
PubChem CID107841901
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione
SMILESCc1c(Br)cccc1N1C(=O)CNC1=O
InChIInChI=1S/C10H9BrN2O2/c1-6-7(11)3-2-4-8(6)13-9(14)5-12-10(13)15/h2-4H,5H2,1H3,(H,12,15)
InChIKeyKKOUNLBJYWUMQR-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione (CID 107841901) is 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione is Cc1c(Br)cccc1N1C(=O)CNC1=O.
What is the InChIKey of 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is KKOUNLBJYWUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6-7(11)3-2-4-8(6)13-9(14)5-12-10(13)15/h2-4H,5H2,1H3,(H,12,15).
What are the key properties of 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione?
3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 269.10 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 107841901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).