3-bromo-1,5,5-trimethylimidazolidine-2,4-dione

C6H9BrN2O2 — CID 20663865

IUPAC3-bromo-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(Br)C(=O)C1(C)C
InChIInChI=1S/C6H9BrN2O2/c1-6(2)4(10)9(7)5(11)8(6)3/h1-3H3
InChIKeyZDHYWBALKFTJPW-UHFFFAOYSA-N
MW221.05 g/mol
LogP0.97
Rot. Bonds

About 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione

3-bromo-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 20663865) has the molecular formula C6H9BrN2O2 and a molecular weight of 221.05 g/mol. Its IUPAC name is 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-bromo-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID20663865
Molecular FormulaC6H9BrN2O2
Molecular Weight221.05 g/mol
Exact Mass219.98
IUPAC Name3-bromo-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(Br)C(=O)C1(C)C
InChIInChI=1S/C6H9BrN2O2/c1-6(2)4(10)9(7)5(11)8(6)3/h1-3H3
InChIKeyZDHYWBALKFTJPW-UHFFFAOYSA-N
XLogP0.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 50.97
H-Bond Donors ≤ 50
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-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione (CID 20663865) is 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione is CN1C(=O)N(Br)C(=O)C1(C)C.
What is the InChIKey of 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is ZDHYWBALKFTJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O2/c1-6(2)4(10)9(7)5(11)8(6)3/h1-3H3.
What are the key properties of 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione?
3-bromo-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 221.05 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 20663865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).