chempirical

1-(1-Methylethyl)-1H-imidazole

C6H10N2CAS 4532-96-1110.16 g/mol

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Properties

Molecular formula
C6H10N2
Molar mass
110.16 g/mol
Exact mass
110.0844 Da
Boiling point
62 °C (at 1 Torr)
logP
1.46Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
4532-96-1
SMILES
CC(C)n1ccnc1
InChIKey
IPIORGCOGQZEHO-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • 1H-Imidazole, 1-(1-methylethyl)-
  • Imidazole, 1-isopropyl-
  • 1-Isopropylimidazole
  • 1-Isopropyl-1H-imidazole
  • N-Isopropylimidazole
  • 1-(Propan-2-yl)-1H-imidazole
  • 1-Propan-2-ylimidazole

Work with 1-(1-Methylethyl)-1H-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-Methylimidazole616-47-740 % similar Bifonazole60628-96-837 % similar (Trimethylsilyl)imidazole18156-74-636 % similar 1-Ethylimidazole7098-07-936 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-432 % similar 1-(Methylsulfonyl)-1H-imidazole40736-26-332 % similar 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-132 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-332 % 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 2-Isopropylimidazole36947-68-9 2-Propylimidazole50995-95-4 2-Ethyl-4-methylimidazole931-36-2

Elsewhere

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