1,3-dimethyl-2H-imidazole

C5H10N2 — CID 5242259

IUPAC1,3-dimethyl-2H-imidazole
SMILESCN1C=CN(C)C1
InChIInChI=1S/C5H10N2/c1-6-3-4-7(2)5-6/h3-4H,5H2,1-2H3
InChIKeySWWCIHVYFYTXDK-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.29
Rot. Bonds

About 1,3-dimethyl-2H-imidazole

1,3-dimethyl-2H-imidazole (PubChem CID 5242259) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name1,3-dimethyl-2H-imidazole
PubChem CID5242259
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1,3-dimethyl-2H-imidazole
SMILESCN1C=CN(C)C1
InChIInChI=1S/C5H10N2/c1-6-3-4-7(2)5-6/h3-4H,5H2,1-2H3
InChIKeySWWCIHVYFYTXDK-UHFFFAOYSA-N
XLogP0.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-2H-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 1,3-dimethyl-2H-imidazole?
The IUPAC name of 1,3-dimethyl-2H-imidazole (CID 5242259) is 1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 1,3-dimethyl-2H-imidazole?
The canonical SMILES for 1,3-dimethyl-2H-imidazole is CN1C=CN(C)C1.
What is the InChIKey of 1,3-dimethyl-2H-imidazole?
The InChIKey is SWWCIHVYFYTXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-6-3-4-7(2)5-6/h3-4H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-2H-imidazole?
1,3-dimethyl-2H-imidazole has a molecular weight of 98.15 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 5242259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).