4-chloro-1-propan-2-ylimidazole

C6H9ClN2 — CID 118180272

IUPAC4-chloro-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(Cl)c1
InChIInChI=1S/C6H9ClN2/c1-5(2)9-3-6(7)8-4-9/h3-5H,1-2H3
InChIKeyQRBUAYLOQVGFER-UHFFFAOYSA-N
MW144.60 g/mol
LogP2.12
Rot. Bonds1

About 4-chloro-1-propan-2-ylimidazole

4-chloro-1-propan-2-ylimidazole (PubChem CID 118180272) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 4-chloro-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-chloro-1-propan-2-ylimidazole
PubChem CID118180272
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name4-chloro-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(Cl)c1
InChIInChI=1S/C6H9ClN2/c1-5(2)9-3-6(7)8-4-9/h3-5H,1-2H3
InChIKeyQRBUAYLOQVGFER-UHFFFAOYSA-N
XLogP2.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1-propan-2-ylimidazole 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-chloro-1-propan-2-ylimidazole?
The IUPAC name of 4-chloro-1-propan-2-ylimidazole (CID 118180272) is 4-chloro-1-propan-2-ylimidazole.
What is the SMILES notation for 4-chloro-1-propan-2-ylimidazole?
The canonical SMILES for 4-chloro-1-propan-2-ylimidazole is CC(C)n1cnc(Cl)c1.
What is the InChIKey of 4-chloro-1-propan-2-ylimidazole?
The InChIKey is QRBUAYLOQVGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-5(2)9-3-6(7)8-4-9/h3-5H,1-2H3.
What are the key properties of 4-chloro-1-propan-2-ylimidazole?
4-chloro-1-propan-2-ylimidazole has a molecular weight of 144.60 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propan-2-ylimidazole is sourced from PubChem (CID 118180272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).