N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 318353
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: C1(N2CCCCC2)(Cc2c(C1)cccc2)C(=O)NCCCn1c(ncc1)C
• Canonical SMILES: O=C(C1(Cc2c(C1)cccc2)N1CCCCC1)NCCCn1ccnc1C
• InChI: InChI=1S/C22H30N4O/c1-18-23-11-15-25(18)12-7-10-24-21(27)22(26-13-5-2-6-14-26)16-19-8-3-4-9-20(19)17-22/h3-4,8-9,11,15H,2,5-7,10,12-14,16-17H2,1H3,(H,24,27)
• InChIKey: USBIYCZIHLUGOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-[3-(2-methylimidazol-1-yl)propyl]-2-(piperidin-1-yl)-1,3-dihydroindene-2-carboxamide
• Synonyms: N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-(1-piperidinyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.544634
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4145843
• LogD (pH = 7.4): 1.121015
• Log P: 2.3661408
• Molar Refractivity: 108.5674 cm^3
• Polarizability: 41.877785 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.95
• LOG S: -4.39
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6