3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione

C13H22Br2N2O2 — CID 141473452

IUPAC3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(Br)CCN1C(=O)N(CCCCBr)C(C)(C)C1=O
InChIInChI=1S/C13H22Br2N2O2/c1-10(15)6-9-16-11(18)13(2,3)17(12(16)19)8-5-4-7-14/h10H,4-9H2,1-3H3
InChIKeyILFWVFZDNJUHGG-UHFFFAOYSA-N
MW398.14 g/mol
LogP3.38
Rot. Bonds7

About 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione

3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 141473452) has the molecular formula C13H22Br2N2O2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID141473452
Molecular FormulaC13H22Br2N2O2
Molecular Weight398.14 g/mol
Exact Mass396.00
IUPAC Name3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(Br)CCN1C(=O)N(CCCCBr)C(C)(C)C1=O
InChIInChI=1S/C13H22Br2N2O2/c1-10(15)6-9-16-11(18)13(2,3)17(12(16)19)8-5-4-7-14/h10H,4-9H2,1-3H3
InChIKeyILFWVFZDNJUHGG-UHFFFAOYSA-N
XLogP3.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
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'}

Analyze 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione (CID 141473452) is 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione is CC(Br)CCN1C(=O)N(CCCCBr)C(C)(C)C1=O.
What is the InChIKey of 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ILFWVFZDNJUHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Br2N2O2/c1-10(15)6-9-16-11(18)13(2,3)17(12(16)19)8-5-4-7-14/h10H,4-9H2,1-3H3.
What are the key properties of 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 398.14 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromobutyl)-1-(4-bromobutyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 141473452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).