1H-Imidazole-2-carboxylic acid, 1-(phenylmethyl)-


Chemical Name: 1H-Imidazole-2-carboxylic acid, 1-(phenylmethyl)-
CAS Number: 16042-26-5
Product Number: AG007BZZ(AGN-PC-0K2EBH)
Synonyms:
MDL No:
Molecular Formula: C11H10N2O2
Molecular Weight: 202.2093

Identification/Properties


Computed Properties
Molecular Weight:
202.213g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
202.074g/mol
Monoisotopic Mass:
202.074g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
227
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Benzyl-1H-imidazole-2-carboxylic acid, a versatile compound in chemical synthesis, plays a crucial role as a building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and reactivity make it an essential component for the synthesis of diverse organic compounds.In the field of medicinal chemistry, 1-Benzyl-1H-imidazole-2-carboxylic acid serves as a key intermediate in the development of potential drug candidates. Its incorporation into drug molecules imparts desirable biological activities and enhances their pharmacological properties. Through tailored modifications of its chemical structure, researchers can fine-tune the properties of the final drug product, improving its efficacy and minimizing potential side effects.Furthermore, this compound is utilized in the synthesis of agrochemicals, contributing to the development of novel pesticides and herbicides. By leveraging the unique structural features of 1-Benzyl-1H-imidazole-2-carboxylic acid, chemists can design compounds with enhanced pest control capabilities and environmental safety profiles.In addition, 1-Benzyl-1H-imidazole-2-carboxylic acid is employed in the synthesis of specialty chemicals for various industrial applications. Its versatile nature enables the creation of custom molecules with specific functionalities, catering to a wide range of industrial needs.Overall, the application of 1-Benzyl-1H-imidazole-2-carboxylic acid in chemical synthesis underscores its significance as a valuable building block in the development of diverse organic compounds with widespread applications in pharmaceuticals, agrochemicals, and specialty chemicals.