3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione

C6H9BrN2O2 — CID 12847944

IUPAC3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CBr)C1=O
InChIInChI=1S/C6H9BrN2O2/c1-6(2)4(10)9(3-7)5(11)8-6/h3H2,1-2H3,(H,8,11)
InChIKeyZQODMSOYMHYRBQ-UHFFFAOYSA-N
MW221.05 g/mol
LogP0.67
Rot. Bonds1

About 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione

3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 12847944) has the molecular formula C6H9BrN2O2 and a molecular weight of 221.05 g/mol. Its IUPAC name is 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID12847944
Molecular FormulaC6H9BrN2O2
Molecular Weight221.05 g/mol
Exact Mass219.98
IUPAC Name3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CBr)C1=O
InChIInChI=1S/C6H9BrN2O2/c1-6(2)4(10)9(3-7)5(11)8-6/h3H2,1-2H3,(H,8,11)
InChIKeyZQODMSOYMHYRBQ-UHFFFAOYSA-N
XLogP0.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 50.67
H-Bond Donors ≤ 51
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)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 12847944) is 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CBr)C1=O.
What is the InChIKey of 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZQODMSOYMHYRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O2/c1-6(2)4(10)9(3-7)5(11)8-6/h3H2,1-2H3,(H,8,11).
What are the key properties of 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 221.05 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 12847944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).