2-(4-Bromo-1-(5-(tert-butyl)-[1,1'-biphenyl]-2-YL)-1H-benzo[D]imidazol-2-YL)-4,6-DI-tert-butylphenol

C₃₇H₄₁BrN₂OCAS 2361613-60-5609.65 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₃₇H₄₁BrN₂O
Molar mass: 609.65 g/mol
Exact mass: 608.2402 Da
logP: 10.72Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

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

Identifiers

CAS number

2361613-60-5

SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C3=C(C(=CC=C3)Br)N=C2C4=C(C(=CC(=C4)C(C)(C)C)C(C)(C)C)O)C5=CC=CC=C5

InChIKey

BSJOLEMCIVJQPY-UHFFFAOYSA-N

InChI

InChI=1S/C37H41BrN2O/c1-35(2,3)24-18-19-30(26(20-24)23-14-11-10-12-15-23)40-31-17-13-16-29(38)32(31)39-34(40)27-21-25(36(4,5)6)22-28(33(27)41)37(7,8)9/h10-22,41H,1-9H3

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Names and synonyms

1 names

Phenol, 2-[4-bromo-1-[5-(1,1-dimethylethyl)[1,1'-biphenyl]-2-yl]-1H-benzimidazol-2-yl]-4,6-bis(1,1-dimethylethyl)-

Work with 2-(4-Bromo-1-(5-(tert-butyl)-[1,1'-biphenyl]-2-YL)-1H-benzo[D]imidazol-2-YL)-4,6-DI-tert-butylphenol

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

2-Bromo-4,6-di-tert-butylphenol20834-61-140 % similar 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol6390-69-839 % similar 2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole3846-71-738 % similar Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol119345-01-636 % similar 2,4,6-Tri-tert-butylphenol732-26-334 % similar UV 3273864-99-133 % similar 2-Bromo-4,4'-di-tert-butylbiphenyl70728-89-133 % similar 3,5-Di-tert-butylcatechol1020-31-132 % similar

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

Elsewhere

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