chempirical

4-Hydroxymethyl-5-methyl-1H-imidazole

C5H8N2OCAS 29636-87-1112.13 g/mol

Open in Covalent MOL file
NHNHO
Alcohol

Properties

Molecular formula
C5H8N2O
Molar mass
112.13 g/mol
Exact mass
112.0637 Da
Melting point
136 °C
logP
0.21Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P337+P317, P363, P405, P501

Identifiers

CAS number
29636-87-1
SMILES
Cc1nc[nH]c1CO
InChIKey
AXJZCJSXNZZMDU-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)

Weigh it out

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

Names and synonyms

12 names
  • 4-(Hydroxymethyl)-5-methylimidazole
  • 1H-Imidazole-5-methanol, 4-methyl-
  • Imidazole-4-methanol, 5-methyl-
  • 1H-Imidazole-4-methanol, 5-methyl-
  • Imidazole-4(or 5)-methanol, 5(or 4)-methyl-
  • 4-Methyl-1H-imidazole-5-methanol
  • 5-Methyl-4-imidazolemethanol
  • 5-(Hydroxymethyl)-4-methylimidazole
  • 5-Methyl-1H-imidazole-4-methanol
  • 4-Methyl-5-imidazolemethanol
  • 4-Methyl-5-(hydroxymethyl)imidazole
  • 4-(Hydroxymethyl)-5-methyl-1H-imidazole

Work with 4-Hydroxymethyl-5-methyl-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methylimidazol-5-ylmethanolhydrochloride38585-62-5Salt

Similar compounds

1H-Imidazole-4,5-dimethanol33457-48-657 % similar 5-Methyl-4-nitroimidazole14003-66-836 % similar 5-(Hydroxymethyl)-1H-benzimidazole106429-29-235 % similar Pyridoxine65-23-635 % similar 4-Carbethoxy-5-methylimidazole51605-32-435 % similar 2-Methyl-5-pyrimidinemethanol2239-83-034 % similar 1H-Imidazole-2-methanol3724-26-334 % similar 4-Imidazolemethanol822-55-934 % similar

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

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 4,5-Dimethyl-3-isoxazolamine13999-39-8 Ethyl N-cyanoacetimidate1558-82-3 Imidazole-1-ethanol1615-14-1 (1-Methyl-1H-imidazol-2-yl)methanol17334-08-6 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-Amino-3,5-dimethylisoxazole31329-64-3

Elsewhere

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