1H-Imidazole-4-carboxylic acid

• CAS: 1072-84-0
• Catalog Number: ACM1072840
• Category: Imidazoles
• Molecular Weight: 112.08
• Molecular Formula: C4H4N2O2
• Boiling Point: 495ºC at 760 mmHg
• Melting Point: 294-295 °C
• Density: 1.524 g/cm³
• Appearance: White powder

Custom Q&A

What is the molecular formula of 1H-Imidazole-4-carboxylic acid?

The molecular formula of 1H-Imidazole-4-carboxylic acid is C4H4N2O2.

What is the molecular weight of 1H-Imidazole-4-carboxylic acid?

The molecular weight of 1H-Imidazole-4-carboxylic acid is 112.09 g/mol.

What is the IUPAC name of 1H-Imidazole-4-carboxylic acid?

The IUPAC name of 1H-Imidazole-4-carboxylic acid is 1H-imidazole-5-carboxylic acid.

What is the InChIKey for 1H-Imidazole-4-carboxylic acid?

The InChIKey for 1H-Imidazole-4-carboxylic acid is NKWCGTOZTHZDHB-UHFFFAOYSA-N.

What is the Canonical SMILES for 1H-Imidazole-4-carboxylic acid?

The Canonical SMILES for 1H-Imidazole-4-carboxylic acid is C1=C(NC=N1)C(=O)O.

When was 1H-Imidazole-4-carboxylic acid created in PubChem?

1H-Imidazole-4-carboxylic acid was created in PubChem on March 26, 2005.

What is the CAS number for 1H-Imidazole-4-carboxylic acid?

The CAS number for 1H-Imidazole-4-carboxylic acid is 1072-84-0.

How many hydrogen bond donor counts does 1H-Imidazole-4-carboxylic acid have?

1H-Imidazole-4-carboxylic acid has 2 hydrogen bond donor counts.

What is the XLogP3-AA value for 1H-Imidazole-4-carboxylic acid?

The XLogP3-AA value for 1H-Imidazole-4-carboxylic acid is -0.1.

In which clinical trial is 1H-Imidazole-4-carboxylic acid under investigation?

1H-Imidazole-4-carboxylic acid is under investigation in clinical trial NCT00583895, which is studying its safety and efficacy for patients suffering from moderate atopic dermatitis.

Synthetic Use

Upstream Synthesis Route 1

• 570-22-9

• 1072-84-0

Reference: [1]Journal of Heterocyclic Chemistry,1982,vol. 19,p. 253 - 256
[2]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1084 - 1089
[3]Dalton Transactions,2007,p. 3771 - 3781
[4]Patent: CN105622515,2016,A .Location in patent: Paragraph 0067; 0068; 0069; 0070; 0071

Downstream Synthesis Route 1

• 67-56-1
• 1072-84-0

• 17325-26-7

Reference: [1] Patent: US2010/160323, 2010, A1, . Location in patent: Page/Page column 23-24

Downstream Synthesis Route 2

• 186581-53-3
• 1072-84-0

• 17325-26-7

Reference: [1] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 9, p. 2888 - 2902

Downstream Synthesis Route 3

• 1072-84-0

• 17325-26-7

Reference: [1] Patent: US5034539, 1991, A,

Downstream Synthesis Route 4

• 50-00-0
• 124-40-3
• 1072-84-0

• 125029-71-2

Reference: [1]Chemistry of Heterocyclic Compounds,1989,vol. 25,p. 165 - 168
Khimiya Geterotsiklicheskikh Soedinenii,1989,vol. 25,p. 206 - 208

Downstream Synthesis Route 5

• 1072-84-0

• 56460-32-3

Reference: [1]Journal of the American Chemical Society,1987,vol. 109,p. 6209 - 6210

* For details of the synthesis route, please refer to the original source to ensure accuracy.