1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione

C7H11ClN2O2 — CID 86243328

IUPAC1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(Cl)C(C)(C)C1=O
InChIInChI=1S/C7H11ClN2O2/c1-4-9-5(11)7(2,3)10(8)6(9)12/h4H2,1-3H3
InChIKeyWWRDMVYWWYTYCA-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.20
Rot. Bonds1

About 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione

1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 86243328) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione
PubChem CID86243328
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(Cl)C(C)(C)C1=O
InChIInChI=1S/C7H11ClN2O2/c1-4-9-5(11)7(2,3)10(8)6(9)12/h4H2,1-3H3
InChIKeyWWRDMVYWWYTYCA-UHFFFAOYSA-N
XLogP1.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-chloro-3-ethyl-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 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione (CID 86243328) is 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione is CCN1C(=O)N(Cl)C(C)(C)C1=O.
What is the InChIKey of 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WWRDMVYWWYTYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-4-9-5(11)7(2,3)10(8)6(9)12/h4H2,1-3H3.
What are the key properties of 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione?
1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 190.63 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 86243328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).