1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

C5H6Br2N2O2 — CID 6479

IUPAC1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Br)C(=O)N1Br
InChIInChI=1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
InChIKeyVRLDVERQJMEPIF-UHFFFAOYSA-N
MW285.92 g/mol
LogP1.65
Rot. Bonds

About 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 6479) has the molecular formula C5H6Br2N2O2 and a molecular weight of 285.92 g/mol. Its IUPAC name is 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
PubChem CID6479
Molecular FormulaC5H6Br2N2O2
Molecular Weight285.92 g/mol
Exact Mass283.88
IUPAC Name1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Br)C(=O)N1Br
InChIInChI=1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
InChIKeyVRLDVERQJMEPIF-UHFFFAOYSA-N
XLogP1.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.92
LogP ≤ 51.65
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 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (CID 6479) is 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(Br)C(=O)N1Br.
What is the InChIKey of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VRLDVERQJMEPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3.
What are the key properties of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 285.92 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 6479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).