3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione

C8H13BrN2O2 — CID 22765497

IUPAC3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(CBr)C1=O
InChIInChI=1S/C8H13BrN2O2/c1-6(2)3-10-4-7(12)11(5-9)8(10)13/h6H,3-5H2,1-2H3
InChIKeyJHQVUWRHQZPWQE-UHFFFAOYSA-N
MW249.11 g/mol
LogP1.26
Rot. Bonds3

About 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione

3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 22765497) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID22765497
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(CBr)C1=O
InChIInChI=1S/C8H13BrN2O2/c1-6(2)3-10-4-7(12)11(5-9)8(10)13/h6H,3-5H2,1-2H3
InChIKeyJHQVUWRHQZPWQE-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione (CID 22765497) is 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1CC(=O)N(CBr)C1=O.
What is the InChIKey of 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is JHQVUWRHQZPWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2/c1-6(2)3-10-4-7(12)11(5-9)8(10)13/h6H,3-5H2,1-2H3.
What are the key properties of 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione?
3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 249.11 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 22765497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).