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Retrosynthesis · AI + evidence

2-(1H-Imidazol-1-Yl)Acetic Acid (C5H6N2O2)

2-(1H-Imidazol-1-Yl)Acetic Acid presents a C5 framework, aromatic rings, a carboxylic acid (formula C5H6N2O2, CAS 22884-10-2). ChemicalTool Reaction can propose ranked disconnections for 2-(1H-Imidazol-1-Yl)Acetic Acid from the SMILES O=C(O)Cn1ccnc1.

Target
2-(1H-Imidazol-1-Yl)Acetic Acid
CAS
22884-10-2
Formula
C5H6N2O2
Approx. MW
126.12
SMILES
O=C(O)Cn1ccnc1
PubChem CID
656129
Approx. carbons
C5

2-(1H-Imidazol-1-Yl)Acetic Acid structure

Properties

IUPAC name
2-imidazol-1-ylacetic acid
Common names
22884-10-2; 2-(1H-Imidazol-1-Yl)Acetic Acid; 1H-imidazole-1-acetic acid; 1H-imidazol-1-ylacetic acid; Imidazole-1-acetic acid; imidazol-1-ylacetic acid; 1-Imidazoleacetic Acid; 2-(imidazol-1-yl)acetic acid; WHC1J1G932; CHEBI:70801
Molecular weight
126.11
Exact mass
126.04
InChIKey
QAFBDRSXXHEXGB-UHFFFAOYSA-N
Melting point
268 - 269 °C

View on PubChem

2-(1H-Imidazol-1-Yl)Acetic Acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-(1H-Imidazol-1-Yl)Acetic Acid?

2-(1H-Imidazol-1-Yl)Acetic Acid has molecular formula C5H6N2O2. Molecular weight about 126.12 g·mol⁻¹.

What is the CAS number of 2-(1H-Imidazol-1-Yl)Acetic Acid?

The CAS Registry Number for 2-(1H-Imidazol-1-Yl)Acetic Acid is 22884-10-2.

Run AI retrosynthesis for 2-(1H-Imidazol-1-Yl)Acetic Acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H6N2O2.

Related targets

Similar compounds

2-Furoic Acid2-Thiophenecarboxylic acid3-Furoic Acid5-Methylisoxazole-4-carboxylic acidOrotic acidPyrazine-2-carboxylic acid

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References & tools