N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 346373
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NCCCN1c2c(CC1)cccc2
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCCN1CCc2c1cccc2
• InChI: InChI=1S/C22H24N4O/c27-21(17-26-16-13-24-22(26)19-8-2-1-3-9-19)23-12-6-14-25-15-11-18-7-4-5-10-20(18)25/h1-5,7-10,13,16H,6,11-12,14-15,17H2,(H,23,27)
• InChIKey: AMVLFUJUMJRHMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.662659
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3874693
• LogD (pH = 7.4): 2.9880893
• Log P: 3.007552
• Molar Refractivity: 118.5072 cm^3
• Polarizability: 41.45032 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.66
• LOG S: -4.1
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7