1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione

C6H8Br2N2O2 — CID 18352259

IUPAC1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione
SMILESCC(C(Br)Br)N1CC(=O)NC1=O
InChIInChI=1S/C6H8Br2N2O2/c1-3(5(7)8)10-2-4(11)9-6(10)12/h3,5H,2H2,1H3,(H,9,11,12)
InChIKeyPPOZPRRRKXIFSF-UHFFFAOYSA-N
MW299.95 g/mol
LogP1.04
Rot. Bonds2

About 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione

1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione (PubChem CID 18352259) has the molecular formula C6H8Br2N2O2 and a molecular weight of 299.95 g/mol. Its IUPAC name is 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione
PubChem CID18352259
Molecular FormulaC6H8Br2N2O2
Molecular Weight299.95 g/mol
Exact Mass297.90
IUPAC Name1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione
SMILESCC(C(Br)Br)N1CC(=O)NC1=O
InChIInChI=1S/C6H8Br2N2O2/c1-3(5(7)8)10-2-4(11)9-6(10)12/h3,5H,2H2,1H3,(H,9,11,12)
InChIKeyPPOZPRRRKXIFSF-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.95
LogP ≤ 51.04
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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Related Compounds

1-butan-2-ylimidazolidine-2,4-dione
CID 22605175
1-pentan-2-ylimidazolidine-2,4-dione
CID 79777351
1-(1-methylsulfonylpropan-2-yl)imidazolidine-2,4-dione
CID 79778127
1-(4-methoxybutan-2-yl)imidazolidine-2,4-dione
CID 79777028
1-[1-(2-methylphenyl)ethyl]imidazolidine-2,4-dione
CID 79776764
1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
CID 79776757
(2S)-2-(2,4-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid
CID 68791456
1-(1-cyclopropylbutan-2-yl)imidazolidine-2,4-dione
CID 79777087
1-iodoimidazolidine-2,4-dione
CID 21443575
5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 83844763
3,3-diethyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959698
4-propan-2-ylsulfonylpiperazine-2,6-dione
CID 66085193

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione (CID 18352259) is 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione is CC(C(Br)Br)N1CC(=O)NC1=O.
What is the InChIKey of 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione?
The InChIKey is PPOZPRRRKXIFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2N2O2/c1-3(5(7)8)10-2-4(11)9-6(10)12/h3,5H,2H2,1H3,(H,9,11,12).
What are the key properties of 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione?
1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione has a molecular weight of 299.95 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dibromopropan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 18352259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).