3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione

C7H11BrN2O2 — CID 43135403

IUPAC3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCCBr)C1=O
InChIInChI=1S/C7H11BrN2O2/c1-9-5-6(11)10(7(9)12)4-2-3-8/h2-5H2,1H3
InChIKeyDVFDGTZFPNGMEU-UHFFFAOYSA-N
MW235.08 g/mol
LogP0.67
Rot. Bonds3

About 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione

3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione (PubChem CID 43135403) has the molecular formula C7H11BrN2O2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione
PubChem CID43135403
Molecular FormulaC7H11BrN2O2
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCCBr)C1=O
InChIInChI=1S/C7H11BrN2O2/c1-9-5-6(11)10(7(9)12)4-2-3-8/h2-5H2,1H3
InChIKeyDVFDGTZFPNGMEU-UHFFFAOYSA-N
XLogP0.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 50.67
H-Bond Donors ≤ 50
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

3-(3-chloropropyl)-1-methylimidazolidine-2,4-dione
CID 28824124
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
methane;1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 160883463
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
4-(3-bromopropyl)morpholine-3,5-dione
CID 59600132
3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
CID 83819144
1-(3-bromopropyl)-3,4-dimethylpyrrole-2,5-dione
CID 146673829
1-(5-bromopentyl)-4-methylpiperazine-2,5-dione
CID 79936793
3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 106671587
N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 79194682
3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione
CID 65006074

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione (CID 43135403) is 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCCBr)C1=O.
What is the InChIKey of 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is DVFDGTZFPNGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2/c1-9-5-6(11)10(7(9)12)4-2-3-8/h2-5H2,1H3.
What are the key properties of 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione?
3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 235.08 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43135403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).