2-(2,5-dimethylphenyl)-1-(pyrrolidin-3-yl)-1H-imidazole

• ChemBase ID: 683373
• Molecular Formular: C15H19N3
• Molecular Mass: 241.33146
• Monoisotopic Mass: 241.15789762
• SMILES: c1(n(ccn1)C1CCNC1)c1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(c(c1)c1nccn1C1CNCC1)C
• InChI: InChI=1S/C15H19N3/c1-11-3-4-12(2)14(9-11)15-17-7-8-18(15)13-5-6-16-10-13/h3-4,7-9,13,16H,5-6,10H2,1-2H3
• InChIKey: NXOOGINMLAAUSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylphenyl)-1-(pyrrolidin-3-yl)-1H-imidazole
• IUPAC Traditional name: 2-(2,5-dimethylphenyl)-1-(pyrrolidin-3-yl)imidazole
• Synonyms: 2-(2,5-dimethylphenyl)-1-pyrrolidin-3-yl-1H-imidazole

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0587318
• LogD (pH = 7.4): -0.35709012
• Log P: 2.7138634
• Molar Refractivity: 84.3845 cm^3
• Polarizability: 29.057909 Å^3
• Polar Surface Area: 29.85 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 1
• Log P: 2.23
• LOG S: -1.86
• Polar Surface Area: 29.85 Å^2