N-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]propyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 836461
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCCCn1c(ncc1)C(C)C
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1c(C)ccc2C)NCCCn1ccnc1C(C)C
• InChI: InChI=1S/C22H30N4O/c1-14(2)22-24-10-12-26(22)11-6-9-23-19(27)13-18-17(5)25-21-16(4)8-7-15(3)20(18)21/h7-8,10,12,14,25H,6,9,11,13H2,1-5H3,(H,23,27)
• InChIKey: LSURLMKSACFYHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]propyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[3-(2-isopropylimidazol-1-yl)propyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.996054
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.714893
• LogD (pH = 7.4): 3.5281963
• Log P: 3.6863673
• Molar Refractivity: 110.8511 cm^3
• Polarizability: 43.11378 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.9
• LOG S: -4.35
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 7