4-(4-methylphenyl)imidazole-1-carboxylic acid

C11H10N2O2 — CID 174417418

IUPAC4-(4-methylphenyl)imidazole-1-carboxylic acid
SMILESCc1ccc(-c2cn(C(=O)O)cn2)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)10-6-13(7-12-10)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyGNKKYHZXCAQWSV-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.38
Rot. Bonds1

About 4-(4-methylphenyl)imidazole-1-carboxylic acid

4-(4-methylphenyl)imidazole-1-carboxylic acid (PubChem CID 174417418) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(4-methylphenyl)imidazole-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)imidazole-1-carboxylic acid
PubChem CID174417418
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(4-methylphenyl)imidazole-1-carboxylic acid
SMILESCc1ccc(-c2cn(C(=O)O)cn2)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)10-6-13(7-12-10)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyGNKKYHZXCAQWSV-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)imidazole-1-carboxylic acid?
The IUPAC name of 4-(4-methylphenyl)imidazole-1-carboxylic acid (CID 174417418) is 4-(4-methylphenyl)imidazole-1-carboxylic acid.
What is the SMILES notation for 4-(4-methylphenyl)imidazole-1-carboxylic acid?
The canonical SMILES for 4-(4-methylphenyl)imidazole-1-carboxylic acid is Cc1ccc(-c2cn(C(=O)O)cn2)cc1.
What is the InChIKey of 4-(4-methylphenyl)imidazole-1-carboxylic acid?
The InChIKey is GNKKYHZXCAQWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)10-6-13(7-12-10)11(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of 4-(4-methylphenyl)imidazole-1-carboxylic acid?
4-(4-methylphenyl)imidazole-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)imidazole-1-carboxylic acid is sourced from PubChem (CID 174417418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).