4-Bromo-1-trityl-1H-imidazole

C₂₂H₁₇BrN₂CAS 87941-55-7389.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₁₇BrN₂
Molar mass: 389.30 g/mol
Exact mass: 388.0575 Da
logP: 5.49Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

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

87941-55-7

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)Br

InChIKey

BSQFJBYJUQJNMZ-UHFFFAOYSA-N

InChI

InChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H

Weigh it out

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Work with 4-Bromo-1-trityl-1H-imidazole

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-Tritylimidazole-4-carboxaldehyde33016-47-656 % similar [1-(Triphenylmethyl)-1H-imidazol-4-yl]methanol33769-07-254 % similar Dechloroclotrimazole15469-97-346 % similar 1-(Triphenylmethyl)-L-histidine35146-32-841 % similar 4-Bromo-1-methyl-1H-imidazole25676-75-938 % similar 2-Bromopyridine109-04-633 % similar Clotrimazole23593-75-133 % similar N-Fmoc-N'-trityl-D-histidine135610-90-131 % similar

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

Same formula

2-Bromo-1-(triphenylmethyl)-1H-imidazole67478-47-1

Elsewhere

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