chempirical

2-Butyl-5-hydroxymethylimidazole

C8H14N2OCAS 68283-19-2154.21 g/mol

Open in Covalent MOL file
NHNOH
Alcohol

Properties

Molecular formula
C8H14N2O
Molar mass
154.21 g/mol
Exact mass
154.1106 Da
logP
1.24Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

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
68283-19-2
SMILES
CCCCC1=NC=C(N1)CO
InChIKey
UZKBZGAMRJRWLR-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10)

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Work with 2-Butyl-5-hydroxymethylimidazole

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

2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-551 % similar 2-Butyl-5-chloro-1H-imidazole-4-methanol79047-41-946 % similar 2-Butyl-1H-imidazole50790-93-743 % similar 2-Undecylimidazole16731-68-338 % similar 2-Heptadecylimidazole23328-87-238 % similar 5-Butyl-2-chloropyrimidine847227-37-637 % similar 2-Pentyl-1H-benzimidazole5851-46-735 % similar 2-Heptylbenzimidazole5851-49-034 % similar

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

Same formula

2,8-Diazaspiro(4.5)decan-3-one561314-57-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook