(1-Methyl-1H-benzimidazol-5-yl)boronic acid

Inquiry

Molecular Formula:

C8H9BN2O2

Molecular Weight:

175.98

Product Information

Molecular Formula:

C8H9BN2O2

Molecular Weight:

175.98

Description

(1-Methyl-1H-benzimidazol-5-yl)boronic acid is utilized in the biomedical industry as a reactant in the synthesis of various pharmaceuticals. Because of its anti-proliferation effect, it is often used in the development and research of anticancer drugs.

Synonyms

(1-Methyl-1H-benzo[d]imidazol-5-yl)boronic acid; (1-methylbenzimidazol-5-yl)boronic acid; 1-Methyl-1H-benzoimidazole-5-boronic acid; 3-methylbenzimidazol-6-boronic acid; (1-methyl-1H-1,3-benzodiazol-5-yl)boronic acid; A898914; beta-(1-Methyl-1H-benzimidazol-5-yl)boronic acid; (1-Methyl-1H-benzimidazol-5-yl)boronic acid

IUPAC Name

(1-methylbenzimidazol-5-yl)boronic acid

Canonical SMILES

B(C1=CC2=C(C=C1)N(C=N2)C)(O)O

InChI

InChI=1S/C8H9BN2O2/c1-11-5-10-7-4-6(9(12)13)2-3-8(7)11/h2-5,12-13H,1H3

InChI Key

ULAHHADVEXVVEN-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H315 - H318 - H335

Precautionary Statement

P261 - P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

176.0757077 g/mol

Monoisotopic Mass

176.0757077 g/mol

Topological Polar Surface Area

58.3Å²

Heavy Atom Count

Formal Charge

Complexity

191

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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(1-Methyl-1H-benzimidazol-5-yl)boronic acid

Product Information

Safety Information

Computed Properties

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