CAS 1251922-62-9

1H-Benzimidazole-1-acetic acid, 5,6-difluoro-α-(1-methylethyl)-, hydrochloride (1:1)

Description:

1H-Benzimidazole-1-acetic acid, 5,6-difluoro-α-(1-methylethyl)-, hydrochloride (1:1) is a chemical compound characterized by its benzimidazole core, which is a bicyclic structure containing a fused benzene and imidazole ring. The presence of the acetic acid moiety indicates that it has carboxylic acid functional properties, which can influence its solubility and reactivity. The difluoro substitution at the 5 and 6 positions of the benzimidazole ring suggests enhanced lipophilicity and potential biological activity, as fluorine atoms can significantly alter the pharmacokinetic properties of organic molecules. The α-(1-methylethyl) group, commonly known as an isopropyl group, contributes to the steric bulk and may affect the compound's interaction with biological targets. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, facilitating its use in pharmaceutical applications. Overall, this compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry.

Formula: C₁₂H₁₂F₂N₂O₂·ClH

InChI: InChI=1S/C12H12F2N2O2.ClH/c1-6(2)11(12(17)18)16-5-15-9-3-7(13)8(14)4-10(9)16;/h3-6,11H,1-2H3,(H,17,18);1H

InChI key: InChIKey=KPTZDEQEFLLOFY-UHFFFAOYSA-N

SMILES: C(C(C)C)(C(O)=O)N1C=2C(N=C1)=CC(F)=C(F)C2.Cl

Synonyms:

• 1H-Benzimidazole-1-acetic acid, 5,6-difluoro-α-(1-methylethyl)-, hydrochloride (1:1)

2-(5,6-Difluoro-1H-1,3-benzodiazol-1-yl)-3-methylbutanoic acid hydrochloride

CAS: 1251922-62-9

Versatile small molecule scaffold

Formula: C₁₂H₁₃ClF₂N₂O₂

Purity: Min. 95%

Molecular weight: 290.69 g/mol

Ref: 3D-BAC92262