4-methyl-4H-imidazole

C4H6N2 — CID 15300564

IUPAC4-methyl-4H-imidazole
SMILESCC1C=NC=N1
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-4H,1H3
InChIKeyAPZWQHDAFYYFEW-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.49
Rot. Bonds

About 4-methyl-4H-imidazole

4-methyl-4H-imidazole (PubChem CID 15300564) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 4-methyl-4H-imidazole.

Molecular Properties

Compound Name4-methyl-4H-imidazole
PubChem CID15300564
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name4-methyl-4H-imidazole
SMILESCC1C=NC=N1
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-4H,1H3
InChIKeyAPZWQHDAFYYFEW-UHFFFAOYSA-N
XLogP0.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-4H-imidazole 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-methyl-4H-imidazole?
The IUPAC name of 4-methyl-4H-imidazole (CID 15300564) is 4-methyl-4H-imidazole.
What is the SMILES notation for 4-methyl-4H-imidazole?
The canonical SMILES for 4-methyl-4H-imidazole is CC1C=NC=N1.
What is the InChIKey of 4-methyl-4H-imidazole?
The InChIKey is APZWQHDAFYYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-4H,1H3.
What are the key properties of 4-methyl-4H-imidazole?
4-methyl-4H-imidazole has a molecular weight of 82.11 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4H-imidazole is sourced from PubChem (CID 15300564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).