1-Tritylimidazole-4-carboxaldehyde

C₂₃H₁₈N₂OCAS 33016-47-6338.41 g/mol

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Properties

Molecular formula: C₂₃H₁₈N₂O
Molar mass: 338.41 g/mol
Exact mass: 338.1419 Da
logP: 4.54Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation91.7% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

33016-47-6

SMILES

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

InChIKey

YQYLLBSWWRWWAY-UHFFFAOYSA-N

InChI

InChI=1S/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H

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Names and synonyms

1 names

1-(Triphenylmethyl)-1H-imidazole-4-carbaldehyde

Work with 1-Tritylimidazole-4-carboxaldehyde

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

4-Bromo-1-trityl-1H-imidazole87941-55-756 % similar 4-Iodo-1-tritylimidazole96797-15-856 % similar [1-(Triphenylmethyl)-1H-imidazol-4-yl]methanol33769-07-251 % similar 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-844 % similar Dechloroclotrimazole15469-97-343 % similar H-His(trt)-OH35146-32-842 % similar Pyridine-2-carbaldehyde1121-60-440 % similar Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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