4,5-dimethyl-1H-imidazole-2-carboxylic acid

C6H8N2O2 — CID 14474276

IUPAC4,5-dimethyl-1H-imidazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)[nH]c1C
InChIInChI=1S/C6H8N2O2/c1-3-4(2)8-5(7-3)6(9)10/h1-2H3,(H,7,8)(H,9,10)
InChIKeyGXHDGDMHQVCBDE-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.72
Rot. Bonds1

About 4,5-dimethyl-1H-imidazole-2-carboxylic acid

4,5-dimethyl-1H-imidazole-2-carboxylic acid (PubChem CID 14474276) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-1H-imidazole-2-carboxylic acid
PubChem CID14474276
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4,5-dimethyl-1H-imidazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)[nH]c1C
InChIInChI=1S/C6H8N2O2/c1-3-4(2)8-5(7-3)6(9)10/h1-2H3,(H,7,8)(H,9,10)
InChIKeyGXHDGDMHQVCBDE-UHFFFAOYSA-N
XLogP0.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazole-2-carboxylic acid?
The IUPAC name of 4,5-dimethyl-1H-imidazole-2-carboxylic acid (CID 14474276) is 4,5-dimethyl-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-1H-imidazole-2-carboxylic acid is Cc1nc(C(=O)O)[nH]c1C.
What is the InChIKey of 4,5-dimethyl-1H-imidazole-2-carboxylic acid?
The InChIKey is GXHDGDMHQVCBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-4(2)8-5(7-3)6(9)10/h1-2H3,(H,7,8)(H,9,10).
What are the key properties of 4,5-dimethyl-1H-imidazole-2-carboxylic acid?
4,5-dimethyl-1H-imidazole-2-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 14474276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).