4,5-dichloro-1-ethyl-3-methylimidazolidine

C6H12Cl2N2 — CID 54291330

IUPAC4,5-dichloro-1-ethyl-3-methylimidazolidine
SMILESCCN1CN(C)C(Cl)C1Cl
InChIInChI=1S/C6H12Cl2N2/c1-3-10-4-9(2)5(7)6(10)8/h5-6H,3-4H2,1-2H3
InChIKeyRXSHMZQREFKQMN-UHFFFAOYSA-N
MW183.08 g/mol
LogP1.34
Rot. Bonds1

About 4,5-dichloro-1-ethyl-3-methylimidazolidine

4,5-dichloro-1-ethyl-3-methylimidazolidine (PubChem CID 54291330) has the molecular formula C6H12Cl2N2 and a molecular weight of 183.08 g/mol. Its IUPAC name is 4,5-dichloro-1-ethyl-3-methylimidazolidine.

Molecular Properties

Compound Name4,5-dichloro-1-ethyl-3-methylimidazolidine
PubChem CID54291330
Molecular FormulaC6H12Cl2N2
Molecular Weight183.08 g/mol
Exact Mass182.04
IUPAC Name4,5-dichloro-1-ethyl-3-methylimidazolidine
SMILESCCN1CN(C)C(Cl)C1Cl
InChIInChI=1S/C6H12Cl2N2/c1-3-10-4-9(2)5(7)6(10)8/h5-6H,3-4H2,1-2H3
InChIKeyRXSHMZQREFKQMN-UHFFFAOYSA-N
XLogP1.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-1-ethyl-3-methylimidazolidine 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 4,5-dichloro-1-ethyl-3-methylimidazolidine?
The IUPAC name of 4,5-dichloro-1-ethyl-3-methylimidazolidine (CID 54291330) is 4,5-dichloro-1-ethyl-3-methylimidazolidine.
What is the SMILES notation for 4,5-dichloro-1-ethyl-3-methylimidazolidine?
The canonical SMILES for 4,5-dichloro-1-ethyl-3-methylimidazolidine is CCN1CN(C)C(Cl)C1Cl.
What is the InChIKey of 4,5-dichloro-1-ethyl-3-methylimidazolidine?
The InChIKey is RXSHMZQREFKQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2N2/c1-3-10-4-9(2)5(7)6(10)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-dichloro-1-ethyl-3-methylimidazolidine?
4,5-dichloro-1-ethyl-3-methylimidazolidine has a molecular weight of 183.08 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-ethyl-3-methylimidazolidine is sourced from PubChem (CID 54291330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).