1H-Imidazole-4,5-dimethanol

C₅H₈N₂O₂CAS 33457-48-6128.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈N₂O₂
Molar mass: 128.13 g/mol
Exact mass: 128.0586 Da
logP: -0.61Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

33457-48-6

SMILES

C1=NC(=C(N1)CO)CO

InChIKey

AGJXDKGTTMVHOU-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O2/c8-1-4-5(2-9)7-3-6-4/h3,8-9H,1-2H2,(H,6,7)

Weigh it out

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Work with 1H-Imidazole-4,5-dimethanol

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

4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-157 % similar 4-Methylimidazol-5-ylmethanolhydrochloride38585-62-552 % similar 4,5,6,7-Tetrahydro-1H-imidazo[4,5-C]pyridine6882-74-241 % similar 5-(Hydroxymethyl)-1H-benzimidazole106429-29-237 % similar 2PHZ61698-32-637 % similar 1H-Imidazole-2-methanol3724-26-337 % similar 4-Imidazolemethanol822-55-937 % similar (3-Chloropyrazin-2-yl)methanol89283-32-935 % similar

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

Same formula

5-Ethylhydantoin15414-82-1 3-Amino-2,6-piperidinedione2353-44-8 N-(2-Cyanoethyl)glycine3088-42-4 1-Acetyl-2-imidazolidinone5391-39-9 Dihydrothymine696-04-8 6-Methylpyridazin-3-ol hydrate7143-82-0 Dimethylhydantoin77-71-4

Elsewhere

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