4-Methylimidazole
Properties
- Molecular formula
- C4H6N2
- Molar mass
- 82.11 g/mol
- Exact mass
- 82.0531 Da
- Density
- 0.938 g/mL (at 153 °C)
- Melting point
- 56 °C
- Boiling point
- 263 °C
- Flash point
- 157 °C (closed cup)
- logP
- 0.72Crippen estimate
- Polar surface area
- 28.7 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H350 May cause cancerCarcinogenicity
- H360Fd May damage fertility; Suspected of damaging the unborn childReproductive toxicity
Harmonised EU classification (CLP Annex VI, index 613-349-00-4), via PubChem.
Precautionary statements
P203, P280, P318, P405, P501
Identifiers
CAS number
822-36-6SMILES
Cc1cnc[nH]1InChIKey
XLSZMDLNRCVEIJ-UHFFFAOYSA-NInChI
InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 1H-Imidazole, 5-methyl-
- Imidazole, 4-methyl-
- 1H-Imidazole, 4-methyl-
- Imidazole, 4(or 5)-methyl-
- 5-Methyl-1H-imidazole
- 4(Or 5)-Methylimidazole
- 4(5)-Methylimidazole
- 5-Methylimidazole
- 4-Methyl-1H-imidazole
- NSC 40744
- 1H-4-Methylimidazole
Work with 4-Methylimidazole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Methylpyrimidin-4-ol17758-52-044 % similar
5-Chloro-1H-imidazole15965-31-842 % similar
4-Bromoimidazole2302-25-242 % similar
4-Fluoroimidazole30086-17-042 % similar
4-Iodo-1H-imidazole71759-89-242 % similar
1-(1H-Imidazol-4-yl)ethan-1-one61985-25-938 % similar
Imidazole-4-carboxaldehyde3034-50-237 % similar
4(5)-(Trifluoromethyl)imidazole33468-69-837 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.