chempirical

1,3-Dimesitylimidazol-2-ylidene

C21H24N2CAS 141556-42-5304.44 g/mol

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Properties

Molecular formula
C21H24N2
Molar mass
304.44 g/mol
Exact mass
304.1939 Da
Melting point
149–151 °C
logP
4.40Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number
141556-42-5
SMILES
CC1=CC(=C(C(=C1)C)N2C=C[N+](=[C-]2)C3=C(C=C(C=C3C)C)C)C
InChIKey
JCYWCSGERIELPG-UHFFFAOYSA-N
InChI
InChI=1S/C21H24N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h7-12H,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Imes
  • 2H-Imidazol-2-ylidene, 1,3-dihydro-1,3-bis(2,4,6-trimethylphenyl)-
  • 1,3-Dihydro-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylidene
  • 1,3-Dimesitylimidazolin-2-ylidene
  • 1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene
  • 1,3-Dihydro-1,3-dimesityl-2H-imidazol-2-ylidene
  • 1,3-Dimesityl-4-imidazolin-2-ylidene
  • 1,3-Dihydro-1,3-bis(mesityl)-2H-imidazol-2-ylidene
  • 1,3-Dimesityl-2-imidazolylidene
  • 1,3-Bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene
  • 1,3-Bis(mesityl)imidazol-2-ylidene
  • N,N′-Bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene
  • 1,3-Di(2,4,6-trimethylphenyl)imidazol-2-ylidene
  • 1,3-Di-tert-mesitylimidazol-2-ylidene
  • 1,3-Bis(2,4,6-trimethylphenyl)imidazole-2-ylidene

Work with 1,3-Dimesitylimidazol-2-ylidene

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

1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride141556-45-844 % similar 1,3-Bis(2,6-di(propan-2-yl)phenyl)-1H-imidazol-3-ium-2-ide244187-81-342 % similar Isodurene527-53-732 % similar 2,4,6-Trimethylbenzaldehyde487-68-332 % similar 2,2′,4,4′,6,6′-Hexamethylbenzophenone5623-45-032 % similar Iodomesitylene4028-63-131 % similar 2,4,6-Trimethylthiophenol1541-10-231 % similar 2-Chloromesitylene1667-04-531 % similar

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

Elsewhere

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