1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione

C8H13BrN2O2 — CID 70618409

IUPAC1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)C(CBr)N1CC(=O)NC1=O
InChIInChI=1S/C8H13BrN2O2/c1-5(2)6(3-9)11-4-7(12)10-8(11)13/h5-6H,3-4H2,1-2H3,(H,10,12,13)
InChIKeyBPMGTFAXJYUMAO-UHFFFAOYSA-N
MW249.11 g/mol
LogP0.96
Rot. Bonds3

About 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione

1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione (PubChem CID 70618409) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione
PubChem CID70618409
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)C(CBr)N1CC(=O)NC1=O
InChIInChI=1S/C8H13BrN2O2/c1-5(2)6(3-9)11-4-7(12)10-8(11)13/h5-6H,3-4H2,1-2H3,(H,10,12,13)
InChIKeyBPMGTFAXJYUMAO-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 50.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione (CID 70618409) is 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione is CC(C)C(CBr)N1CC(=O)NC1=O.
What is the InChIKey of 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione?
The InChIKey is BPMGTFAXJYUMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2/c1-5(2)6(3-9)11-4-7(12)10-8(11)13/h5-6H,3-4H2,1-2H3,(H,10,12,13).
What are the key properties of 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione?
1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione has a molecular weight of 249.11 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-methylbutan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 70618409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).