4(5)-Cyanomethylimidazole

C₅H₅N₃CAS 18502-05-1107.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅N₃
Molar mass: 107.12 g/mol
Exact mass: 107.0483 Da
logP: 0.48Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

18502-05-1

SMILES

C1=C(NC=N1)CC#N

InChIKey

DQZBHUXBFNBJLX-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3/c6-2-1-5-3-7-4-8-5/h3-4H,1H2,(H,7,8)

Weigh it out

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

Names and synonyms

1 names

2-(1H-Imidazol-5-yl)acetonitrile

Work with 4(5)-Cyanomethylimidazole

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

1H-Imidazole-5-methanol822-55-948 % similar Histamine51-45-645 % similar Imidazolyl-4-ethanol872-82-245 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-944 % similar Histamine dihydrochloride56-92-841 % similar 1H-Imidazole-5-acetic acid645-65-840 % similar Pyridin-4-yl-acetonitrile13121-99-839 % similar 3-Pyridineacetonitrile6443-85-238 % similar

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

Same formula

1-Methyl-1H-imidazole-4-carbonitrile66121-69-5

Elsewhere

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