3-(1-Phenyl-1H-benzo[D]imidazol-2-yl)phenylboronic acid

C19H15BN2O2CAS 1214723-26-8314.15 g/mol

Open in Covalent MOL file
BNNOHHO
Boronic acid

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1214723-26-8
SMILES
B(C1=CC(=CC=C1)C2=NC3=CC=CC=C3N2C4=CC=CC=C4)(O)O
InChIKey
YALVJUMJQAACQL-UHFFFAOYSA-N
InChI
InChI=1S/C19H15BN2O2/c23-20(24)15-8-6-7-14(13-15)19-21-17-11-4-5-12-18(17)22(19)16-9-2-1-3-10-16/h1-13,23-24H

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Names and synonyms

1 names
  • (3-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid

Work with 3-(1-Phenyl-1H-benzo[D]imidazol-2-yl)phenylboronic 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-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole952514-86-265 % similar 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene192198-85-963 % similar 2-(3-Bromophenyl)-1-phenyl-1H-benzimidazole760212-40-662 % similar 2-(4-Bromophenyl)-1-phenyl-1H-benzo(d)imidazole2620-76-052 % similar 1-(4-Bromophenyl)-2-phenyl-1H-benzimidazole760212-58-652 % similar Biphenyl-3-boronic acid5122-95-250 % similar 3-(9H-Carbazol-9-yl)phenylboronic acid864377-33-349 % similar 2-(4-(9,10-Di-naphthalen-2-yl-anthracen-2-yl)-phenyl)-1-phenyl-1H-benzoimidazole561064-11-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid867044-33-5 4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic Acid952514-79-3

Elsewhere

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