1-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole

C₂₅H₂₅BN₂O₂CAS 952514-86-2396.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₅H₂₅BN₂O₂
Molar mass: 396.30 g/mol
Exact mass: 396.2009 Da
logP: 4.99Crippen estimate
Polar surface area: 36.3 Å²
H-bond donors / acceptors: 0 / 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

952514-86-2

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChIKey

IFFQSTWSRPRHBQ-UHFFFAOYSA-N

InChI

InChI=1S/C25H25BN2O2/c1-24(2)25(3,4)30-26(29-24)19-12-10-11-18(17-19)23-27-21-15-8-9-16-22(21)28(23)20-13-6-5-7-14-20/h5-17H,1-4H3

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Names and synonyms

1 names

1-Phenyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo(d)imidazole

Work with 1-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-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

3-(1-Phenyl-1H-benzo[D]imidazol-2-yl)phenylboronic acid1214723-26-865 % similar 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1269508-31-758 % similar 4,4,5,5-Tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane912844-88-358 % similar 2-(3-Bromophenyl)-1-phenyl-1H-benzimidazole760212-40-656 % similar (3-(Carbazole-9H)phenyl)pinacol ester870119-58-756 % similar 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene192198-85-956 % similar 9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole618442-57-254 % similar 9-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole1126522-69-754 % similar

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

Elsewhere

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