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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Related Compounds

4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
CID 105498309
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid
CID 141349982
4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid
CID 46782654
4-bromo-5-propan-2-yl-1H-imidazole-2-carboxylic acid
CID 82378027
6-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
CID 130958723
sodium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
CID 54598356
4,6-dimethyl-2-methylsulfonylpyrimidine-5-carboxylic acid
CID 68683508
acetaldehyde;butane-2,3-dione;molecular iodine;2,4,5-trimethyl-1H-imidazole
CID 161228444
5-amino-4-methylsulfanyl-1H-imidazole-2-carboxylic acid
CID 68816994
5-methyl-1H-benzimidazole-2,4-dicarboxylic acid
CID 19759653
5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
CID 82400656
2-iodo-5-methyl-1H-imidazole-4-carboxylic acid
CID 22939881

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).