N-butyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(thiophen-3-ylmethyl)propanamide

• ChemBase ID: 632900
• Molecular Formular: C19H23N3OS
• Molecular Mass: 341.47042
• Monoisotopic Mass: 341.15618337
• SMILES: n12c(nc(c1)CCC(=O)N(Cc1cscc1)CCCC)cccc2
• Canonical SMILES: CCCCN(C(=O)CCc1nc2n(c1)cccc2)Cc1ccsc1
• InChI: InChI=1S/C19H23N3OS/c1-2-3-10-22(13-16-9-12-24-15-16)19(23)8-7-17-14-21-11-5-4-6-18(21)20-17/h4-6,9,11-12,14-15H,2-3,7-8,10,13H2,1H3
• InChIKey: RBMVEMYBLSHWJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(thiophen-3-ylmethyl)propanamide
• IUPAC Traditional name: N-butyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(thiophen-3-ylmethyl)propanamide
• Synonyms: N-butyl-3-imidazo[1,2-a]pyridin-2-yl-N-(3-thienylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.445629
• LogD (pH = 7.4): 3.157634
• Log P: 3.185006
• Molar Refractivity: 98.6288 cm^3
• Polarizability: 37.46406 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.36
• LOG S: -4.56
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 8