chempirical

2-Isopropylimidazole

C6H10N2CAS 36947-68-9110.16 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C6H10N2
Molar mass
110.16 g/mol
Exact mass
110.0844 Da
Melting point
130–135 °C
logP
1.53Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
36947-68-9
SMILES
CC(C)c1ncc[nH]1
InChIKey
FUOZJYASZOSONT-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)

Weigh it out

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

Names and synonyms

5 names
  • 1H-Imidazole, 2-(1-methylethyl)-
  • 2-(1-Methylethyl)-1H-imidazole
  • 2-Isopropyl-1H-imidazole
  • 2-(Propan-2-yl)-1H-imidazole
  • 2-Propan-2-yl-1H-imidazole

Work with 2-Isopropylimidazole

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

2-Methylimidazole693-98-142 % similar 2,2′-Biimidazole492-98-842 % similar 2-Ethylimidazole1072-62-438 % similar 2-Chloro-1H-imidazole16265-04-637 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-437 % similar 2-Imidazolidinethione872-35-537 % similar 3-Methyl-2(1H)-pyrazinone19838-07-435 % similar Isopropylpyrazine29460-90-033 % similar

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

Same formula

1,3,5-Trimethylpyrazole1072-91-9 1-Isopropyl-1H-pyrazole18952-87-9 1-Pyrrolidineacetonitrile29134-29-0 1-Propylimidazole35203-44-2 1-(1-Methylethyl)-1H-imidazole4532-96-1 2-Propylimidazole50995-95-4 2-Ethyl-4-methylimidazole931-36-2

Elsewhere

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