chempirical

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

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid1133058-06-647 % similar (3,5-Diphenylphenyl)boronic acid128388-54-540 % similar 3-Methylphenylboronic acid17933-03-836 % similar Phenylboronic acid98-80-636 % similar [9-(2-Naphthalenyl)-9H-carbazole-3-yl] boronic acid1133057-98-335 % similar (3-(Dibenzo[B,D]furan-4-yl)phenyl)boronic acid1271726-52-335 % similar (3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid1307859-67-135 % similar 3-Fluorophenylboronic acid768-35-434 % similar

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

Elsewhere

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