5-(4-bromobutyl)imidazolidine-2,4-dione

C7H11BrN2O2 — CID 567967

IUPAC5-(4-bromobutyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCCBr)N1
InChIInChI=1S/C7H11BrN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12)
InChIKeyTWRKXHFCQVEYHI-UHFFFAOYSA-N
MW235.08 g/mol
LogP0.76
Rot. Bonds4

About 5-(4-bromobutyl)imidazolidine-2,4-dione

5-(4-bromobutyl)imidazolidine-2,4-dione (PubChem CID 567967) has the molecular formula C7H11BrN2O2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 5-(4-bromobutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromobutyl)imidazolidine-2,4-dione
PubChem CID567967
Molecular FormulaC7H11BrN2O2
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name5-(4-bromobutyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCCBr)N1
InChIInChI=1S/C7H11BrN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12)
InChIKeyTWRKXHFCQVEYHI-UHFFFAOYSA-N
XLogP0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-Propylimidazolidine-2,4-dione
CID 567619
5-(2-Bromoethyl)imidazolidine-2,4-dione
CID 344374
5-Butylimidazolidine-2,4-dione
CID 13239554
5-(4-Aminobutyl)imidazolidine-2,4-dione
CID 12803244
5-(3-Aminopropyl)imidazolidine-2,4-dione
CID 19702728
(5S)-5-(3-aminopropyl)imidazolidine-2,4-dione hydrochloride
CID 132372518
Imidazolidine-2,4-dione, 5-(4-hydroxyaminobutyl)-
CID 159207238
5-(3-Bromopropyl)imidazolidine-2,4-dione
CID 19708130
(5S)-5-(3-Aminopropyl)imidazolidine-2,4-dione
CID 53243149
2,5-Dioxo-4-imidazolidinebutanenitrile
CID 12803243
5-Butyl-3-methylimidazolidine-2,4-dione
CID 13590029
3-(2,5-Dioxoimidazolidin-4-yl)propylurea
CID 14825233

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobutyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromobutyl)imidazolidine-2,4-dione (CID 567967) is 5-(4-bromobutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromobutyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromobutyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCCCBr)N1.
What is the InChIKey of 5-(4-bromobutyl)imidazolidine-2,4-dione?
The InChIKey is TWRKXHFCQVEYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12).
What are the key properties of 5-(4-bromobutyl)imidazolidine-2,4-dione?
5-(4-bromobutyl)imidazolidine-2,4-dione has a molecular weight of 235.08 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 567967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).