3-butyl-1-methyl-1H-imidazol-3-ium

• ChemBase ID: 126304
• Molecular Formular: C8H15N2+
• Molecular Mass: 139.2181
• Monoisotopic Mass: 139.12352349
• SMILES: CCCC[n+]1ccn(C)c1
• Canonical SMILES: CCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1
• InChIKey: IQQRAVYLUAZUGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-butyl-1-methyl-1H-imidazol-3-ium
• IUPAC Traditional name: C4mim
• Synonyms: C4mim

Database IDs

• PubChem SID: 162220643
• PubChem CID: 2734162
• CHEBI ID: 61333
• CHEMBL: 1198608
• Chemspider ID: 2015918
• Wikipedia Title: C4mim

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.1459775
• LogD (pH = 7.4): -2.1459775
• Log P: -2.1459775
• Molar Refractivity: 42.7263 cm^3
• Polarizability: 16.442808 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true