1-methyl-2-(pyrrolidin-3-yl)-1H-imidazole

• ChemBase ID: 243388
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(n(ccn1)C)C1CNCC1
• Canonical SMILES: Cn1ccnc1C1CNCC1
• InChI: InChI=1S/C8H13N3/c1-11-5-4-10-8(11)7-2-3-9-6-7/h4-5,7,9H,2-3,6H2,1H3
• InChIKey: WGKTZHNTSOLEDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-(pyrrolidin-3-yl)-1H-imidazole
• IUPAC Traditional name: 1-methyl-2-(pyrrolidin-3-yl)imidazole
• Synonyms: 1-methyl-2-(pyrrolidin-3-yl)-1H-imidazole

Database IDs

• MDL Number: MFCD22397474
• PubChem SID: 164299298
• PubChem CID: 69121108

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9755335
• LogD (pH = 7.4): -2.9342468
• Log P: 0.016433273
• Molar Refractivity: 44.0268 cm^3
• Polarizability: 16.985762 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.451

Product Information

• Purity: 95%