4,5-dichloro-1-ethyl-2-methylimidazole

C6H8Cl2N2 — CID 21052306

IUPAC4,5-dichloro-1-ethyl-2-methylimidazole
SMILESCCn1c(C)nc(Cl)c1Cl
InChIInChI=1S/C6H8Cl2N2/c1-3-10-4(2)9-5(7)6(10)8/h3H2,1-2H3
InChIKeyZXDGOBMSRNDMRO-UHFFFAOYSA-N
MW179.05 g/mol
LogP2.52
Rot. Bonds1

About 4,5-dichloro-1-ethyl-2-methylimidazole

4,5-dichloro-1-ethyl-2-methylimidazole (PubChem CID 21052306) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is 4,5-dichloro-1-ethyl-2-methylimidazole.

Molecular Properties

Compound Name4,5-dichloro-1-ethyl-2-methylimidazole
PubChem CID21052306
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name4,5-dichloro-1-ethyl-2-methylimidazole
SMILESCCn1c(C)nc(Cl)c1Cl
InChIInChI=1S/C6H8Cl2N2/c1-3-10-4(2)9-5(7)6(10)8/h3H2,1-2H3
InChIKeyZXDGOBMSRNDMRO-UHFFFAOYSA-N
XLogP2.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dichloro-1-ethyl-2-methylimidazole 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-2-methylimidazole?
The IUPAC name of 4,5-dichloro-1-ethyl-2-methylimidazole (CID 21052306) is 4,5-dichloro-1-ethyl-2-methylimidazole.
What is the SMILES notation for 4,5-dichloro-1-ethyl-2-methylimidazole?
The canonical SMILES for 4,5-dichloro-1-ethyl-2-methylimidazole is CCn1c(C)nc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-ethyl-2-methylimidazole?
The InChIKey is ZXDGOBMSRNDMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2/c1-3-10-4(2)9-5(7)6(10)8/h3H2,1-2H3.
What are the key properties of 4,5-dichloro-1-ethyl-2-methylimidazole?
4,5-dichloro-1-ethyl-2-methylimidazole has a molecular weight of 179.05 g/mol, XLogP of 2.52, 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-2-methylimidazole is sourced from PubChem (CID 21052306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).