3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione

C6H8Br2N2O2 — CID 141473458

IUPAC3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione
SMILESCCC(Br)N1CC(=O)N(Br)C1=O
InChIInChI=1S/C6H8Br2N2O2/c1-2-4(7)9-3-5(11)10(8)6(9)12/h4H,2-3H2,1H3
InChIKeyPURFQMQXFAVRTO-UHFFFAOYSA-N
MW299.95 g/mol
LogP1.69
Rot. Bonds2

About 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione

3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione (PubChem CID 141473458) has the molecular formula C6H8Br2N2O2 and a molecular weight of 299.95 g/mol. Its IUPAC name is 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione
PubChem CID141473458
Molecular FormulaC6H8Br2N2O2
Molecular Weight299.95 g/mol
Exact Mass297.90
IUPAC Name3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione
SMILESCCC(Br)N1CC(=O)N(Br)C1=O
InChIInChI=1S/C6H8Br2N2O2/c1-2-4(7)9-3-5(11)10(8)6(9)12/h4H,2-3H2,1H3
InChIKeyPURFQMQXFAVRTO-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.95
LogP ≤ 51.69
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione (CID 141473458) is 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione is CCC(Br)N1CC(=O)N(Br)C1=O.
What is the InChIKey of 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione?
The InChIKey is PURFQMQXFAVRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2N2O2/c1-2-4(7)9-3-5(11)10(8)6(9)12/h4H,2-3H2,1H3.
What are the key properties of 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione?
3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione has a molecular weight of 299.95 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(1-bromopropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 141473458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).