6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole

C13H17BN2O2CAS 1007206-54-3244.10 g/mol

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BOONNH
Boronic ester

Properties

Molecular formula
C13H17BN2O2
Molar mass
244.10 g/mol
Exact mass
244.1383 Da
logP
1.86Crippen estimate
Polar surface area
47.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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
1007206-54-3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CN3
InChIKey
HCWNKNYTHLBIHX-UHFFFAOYSA-N
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-5-6-10-11(7-9)16-8-15-10/h5-8H,1-4H3,(H,15,16)

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Names and synonyms

1 names
  • 1H-Benzimidazole-5-boronic acid, pinacol ester

Work with 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole

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

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole269410-24-452 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-150 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-849 % similar 2-Methylpyridine-4-boronic acid pinacol ester660867-80-148 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine827614-64-248 % similar 2-(3,4-Dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane401797-00-048 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-carbazole855738-89-547 % similar 2-Aminopyridine-4-boronic acid pinacol ester1195995-72-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Azaindole-5-boronic acid pinacol ester754214-56-7 Indazole-5-boronic acid pinacol ester862723-42-0 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-7 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole915411-02-8 6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole937049-58-6 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-b)pyridine942919-26-8

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