5-(3-bromopropyl)imidazolidine-2,4-dione

C6H9BrN2O2 — CID 19708130

IUPAC5-(3-bromopropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCBr)N1
InChIInChI=1S/C6H9BrN2O2/c7-3-1-2-4-5(10)9-6(11)8-4/h4H,1-3H2,(H2,8,9,10,11)
InChIKeySNXWNPSJJATVOY-UHFFFAOYSA-N
MW221.05 g/mol
LogP0.37
Rot. Bonds3

About 5-(3-bromopropyl)imidazolidine-2,4-dione

5-(3-bromopropyl)imidazolidine-2,4-dione (PubChem CID 19708130) has the molecular formula C6H9BrN2O2 and a molecular weight of 221.05 g/mol. Its IUPAC name is 5-(3-bromopropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromopropyl)imidazolidine-2,4-dione
PubChem CID19708130
Molecular FormulaC6H9BrN2O2
Molecular Weight221.05 g/mol
Exact Mass219.98
IUPAC Name5-(3-bromopropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCBr)N1
InChIInChI=1S/C6H9BrN2O2/c7-3-1-2-4-5(10)9-6(11)8-4/h4H,1-3H2,(H2,8,9,10,11)
InChIKeySNXWNPSJJATVOY-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 50.37
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-bromopropyl)imidazolidine-2,4-dione (CID 19708130) is 5-(3-bromopropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-bromopropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-bromopropyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCCBr)N1.
What is the InChIKey of 5-(3-bromopropyl)imidazolidine-2,4-dione?
The InChIKey is SNXWNPSJJATVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O2/c7-3-1-2-4-5(10)9-6(11)8-4/h4H,1-3H2,(H2,8,9,10,11).
What are the key properties of 5-(3-bromopropyl)imidazolidine-2,4-dione?
5-(3-bromopropyl)imidazolidine-2,4-dione has a molecular weight of 221.05 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 19708130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).