[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid

C₁₉H₁₅BN₂O₂CAS 867044-33-5314.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₅BN₂O₂
Molar mass: 314.15 g/mol
Exact mass: 314.1227 Da
logP: 2.37Crippen estimate
Polar surface area: 58.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

867044-33-5

SMILES

B(C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=C4)(O)O

InChIKey

RCOAUYBPVRIYBG-UHFFFAOYSA-N

InChI

InChI=1S/C19H15BN2O2/c23-20(24)15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14/h1-13,23-24H

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Names and synonyms

1 names

4-(2-Phenyl-1H-benzimidazol-1-yl)phenylboronic Acid (contains varying amounts of Anhydride)

Work with [4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(4-Bromophenyl)-2-phenyl-1H-benzimidazole760212-58-663 % similar 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene192198-85-959 % similar 2-(4-Bromophenyl)-1-phenyl-1H-benzo(d)imidazole2620-76-056 % similar 4-(9H-Carbozol-9-yl)phenylboronic acid419536-33-753 % similar 2-(3-Bromophenyl)-1-phenyl-1H-benzimidazole760212-40-652 % similar 1-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole952514-86-250 % similar 4-Biphenylboronic acid5122-94-146 % similar 2-(4-(9,10-Di-naphthalen-2-yl-anthracen-2-yl)-phenyl)-1-phenyl-1H-benzoimidazole561064-11-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(1-Phenyl-1H-benzo[D]imidazol-2-yl)phenylboronic acid1214723-26-8 4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic Acid952514-79-3

Elsewhere

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