Dechloroclotrimazole

C₂₂H₁₈N₂CAS 15469-97-3310.40 g/mol

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Properties

Molecular formula: C₂₂H₁₈N₂
Molar mass: 310.40 g/mol
Exact mass: 310.1470 Da
logP: 4.72Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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

15469-97-3

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4

InChIKey

NPZDCTUDQYGYQD-UHFFFAOYSA-N

InChI

InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H

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Names and synonyms

1 names

1-(Triphenylmethyl)imidazole

Work with Dechloroclotrimazole

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

Clotrimazole23593-75-168 % similar Flutrimazole119006-77-859 % similar 4-Bromo-1-trityl-1H-imidazole87941-55-746 % similar 4-Iodo-1-tritylimidazole96797-15-846 % similar 1-Phenylimidazole7164-98-945 % similar 1-Tritylimidazole-4-carboxaldehyde33016-47-643 % similar [1-(Triphenylmethyl)-1H-imidazol-4-yl]methanol33769-07-242 % similar 2-Bromo-1-(triphenylmethyl)-1H-imidazole67478-47-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bifonazole60628-96-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook