2-Butyl-1H-imidazole

C₇H₁₂N₂CAS 50790-93-7124.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂N₂
Molar mass: 124.19 g/mol
Exact mass: 124.1000 Da
logP: 1.75Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

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

50790-93-7

SMILES

CCCCC1=NC=CN1

InChIKey

SLLDUURXGMDOCY-UHFFFAOYSA-N

InChI

InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)

Weigh it out

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Names and synonyms

1 names

2-Buthylimidazole

Work with 2-Butyl-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

Similar compounds

2-Undecylimidazole16731-68-385 % similar 2-Heptadecylimidazole23328-87-285 % similar 2-Propylimidazole50995-95-477 % similar 2-Ethylimidazole1072-62-457 % similar 1H-Imidazole-2-methanol3724-26-347 % similar 1H-Imidazole-2-methanamine53332-80-247 % similar 2-Butyl-5-hydroxymethylimidazole68283-19-243 % similar 1H-Imidazol-2-ylmethylamine dihydrochloride22600-77-742 % similar

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

Same formula

1-Pyrrolidinepropanenitrile26165-45-7 1,5-Diazabicyclo[4.3.0]non-5-ene3001-72-7 1-Piperidineacetonitrile3010-03-5 1-Propyl-2-methylimidazole33214-18-5 Butylimidazole4316-42-1 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-1

Elsewhere

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