3-methyl-1,2-dihydroimidazole

C4H8N2 — CID 5254862

IUPAC3-methyl-1,2-dihydroimidazole
SMILESCN1C=CNC1
InChIInChI=1S/C4H8N2/c1-6-3-2-5-4-6/h2-3,5H,4H2,1H3
InChIKeyQSDIXCHNEBIQHJ-UHFFFAOYSA-N
MW84.12 g/mol
LogP-0.05
Rot. Bonds

About 3-methyl-1,2-dihydroimidazole

3-methyl-1,2-dihydroimidazole (PubChem CID 5254862) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 3-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-methyl-1,2-dihydroimidazole
PubChem CID5254862
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name3-methyl-1,2-dihydroimidazole
SMILESCN1C=CNC1
InChIInChI=1S/C4H8N2/c1-6-3-2-5-4-6/h2-3,5H,4H2,1H3
InChIKeyQSDIXCHNEBIQHJ-UHFFFAOYSA-N
XLogP-0.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,2-dihydroimidazole 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 3-methyl-1,2-dihydroimidazole?
The IUPAC name of 3-methyl-1,2-dihydroimidazole (CID 5254862) is 3-methyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-methyl-1,2-dihydroimidazole?
The canonical SMILES for 3-methyl-1,2-dihydroimidazole is CN1C=CNC1.
What is the InChIKey of 3-methyl-1,2-dihydroimidazole?
The InChIKey is QSDIXCHNEBIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-6-3-2-5-4-6/h2-3,5H,4H2,1H3.
What are the key properties of 3-methyl-1,2-dihydroimidazole?
3-methyl-1,2-dihydroimidazole has a molecular weight of 84.12 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 5254862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).