2,3-dimethylimidazole-4-carboxylic acid

C6H8N2O2 — CID 23361873

IUPAC2,3-dimethylimidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1C
InChIInChI=1S/C6H8N2O2/c1-4-7-3-5(6(9)10)8(4)2/h3H,1-2H3,(H,9,10)
InChIKeyGHSZJLADCHKTGG-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.43
Rot. Bonds1

About 2,3-dimethylimidazole-4-carboxylic acid

2,3-dimethylimidazole-4-carboxylic acid (PubChem CID 23361873) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2,3-dimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethylimidazole-4-carboxylic acid
PubChem CID23361873
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2,3-dimethylimidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1C
InChIInChI=1S/C6H8N2O2/c1-4-7-3-5(6(9)10)8(4)2/h3H,1-2H3,(H,9,10)
InChIKeyGHSZJLADCHKTGG-UHFFFAOYSA-N
XLogP0.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethylimidazole-4-carboxylic acid 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 2,3-dimethylimidazole-4-carboxylic acid?
The IUPAC name of 2,3-dimethylimidazole-4-carboxylic acid (CID 23361873) is 2,3-dimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 2,3-dimethylimidazole-4-carboxylic acid?
The canonical SMILES for 2,3-dimethylimidazole-4-carboxylic acid is Cc1ncc(C(=O)O)n1C.
What is the InChIKey of 2,3-dimethylimidazole-4-carboxylic acid?
The InChIKey is GHSZJLADCHKTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-7-3-5(6(9)10)8(4)2/h3H,1-2H3,(H,9,10).
What are the key properties of 2,3-dimethylimidazole-4-carboxylic acid?
2,3-dimethylimidazole-4-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 23361873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).