1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole

C₁₈H₂₆N₂O₂SCAS 50257-40-4334.48 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₆N₂O₂S
Molar mass: 334.48 g/mol
Exact mass: 334.1715 Da
Melting point: 118–119 °C
logP: 4.49Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

50257-40-4

SMILES

CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1

InChIKey

AGGRGODMKWLSDE-UHFFFAOYSA-N

InChI

InChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3

Weigh it out

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

Names and synonyms

7 names

1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-imidazole
1H-Imidazole, 1-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-
1-(2,4,6-Triisoprolylphenylsulfonyl)-1H-imidazole
1-(2,4,6-Triisopropylphenylsulfonyl)-1H-imidazole
1-(2,4,6-Triisopropylphenylsulfonyl)imidazole
1-(2,4,6-Triisopropyl-benzenesulfonyl)-1H-imidazole
1-[2,4,6-Tri(propan-2-yl)phenyl]sulfonylimidazole

Work with 1-(2',4',6'-Triisopropylbenzenesulfonyl)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-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-1,2,4-triazole54230-60-360 % similar 1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole50257-39-153 % similar 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride6553-96-446 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-845 % similar 2,4,6-Triisopropylbenzenesulphonohydrazide39085-59-144 % similar 2,4,6-Triisopropylbenzenesulfonyl azide36982-84-040 % similar 1-(Methylsulfonyl)-1H-imidazole40736-26-340 % similar 1,1′-Sulfonyldiimidazole7189-69-739 % similar

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

Elsewhere

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