1,3-Bis(2,6-di(propan-2-yl)phenyl)-1H-imidazol-3-ium-2-ide

C₂₇H₃₆N₂CAS 244187-81-3388.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₇H₃₆N₂
Molar mass: 388.60 g/mol
Exact mass: 388.2878 Da
logP: 7.05Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

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

244187-81-3

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C

InChIKey

VYCIHDBIKGRENI-UHFFFAOYSA-N

InChI

InChI=1S/C27H36N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-16,18-21H,1-8H3

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Names and synonyms

1 names

1,3-Bis(2,6-di-I-propylphenyl)imidazol-2-ylidene

Work with 1,3-Bis(2,6-di(propan-2-yl)phenyl)-1H-imidazol-3-ium-2-ide

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(2,6-diisopropylphenyl)imidazolium chloride250285-32-648 % similar 1,3-Dimesitylimidazol-2-ylidene141556-42-542 % similar Bis(1-methylethyl)benzene25321-09-936 % similar Propofol2078-54-835 % similar Diisopropylaniline24544-04-535 % similar 2-Isocyanato-1,3-bis(1-methylethyl)benzene28178-42-933 % similar Bis(2,6-diisopropylphenyl)carbodiimide2162-74-533 % similar O-Cymene527-84-432 % similar

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

Elsewhere

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