N-[2-(1H-imidazol-1-yl)ethyl]-2-[methyl(2-phenylethyl)amino]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 669747
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: C1(Cc2c(C1)cccc2)(C(=O)NCCn1cncc1)N(CCc1ccccc1)C
• Canonical SMILES: CN(C1(Cc2c(C1)cccc2)C(=O)NCCn1cncc1)CCc1ccccc1
• InChI: InChI=1S/C24H28N4O/c1-27(14-11-20-7-3-2-4-8-20)24(17-21-9-5-6-10-22(21)18-24)23(29)26-13-16-28-15-12-25-19-28/h2-10,12,15,19H,11,13-14,16-18H2,1H3,(H,26,29)
• InChIKey: ZRNHCSSJAMKZQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-imidazol-1-yl)ethyl]-2-[methyl(2-phenylethyl)amino]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-[2-(imidazol-1-yl)ethyl]-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
• Synonyms: N-[2-(1H-imidazol-1-yl)ethyl]-2-[methyl(2-phenylethyl)amino]-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.459544
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.018539157
• LogD (pH = 7.4): 2.2473836
• Log P: 3.3458846
• Molar Refractivity: 116.4869 cm^3
• Polarizability: 44.849674 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.04
• LOG S: -4.63
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8