1-ethyl-5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-1H-indole

• ChemBase ID: 572954
• Molecular Formular: C22H28N4O2
• Molecular Mass: 380.48332
• Monoisotopic Mass: 380.22122616
• SMILES: c1(C2CN(C(=O)c3cc4c(n(cc4)CC)cc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1ccc2c(c1)ccn2CC
• InChI: InChI=1S/C22H28N4O2/c1-3-24-11-8-17-15-18(6-7-20(17)24)22(27)26-10-4-5-19(16-26)21-23-9-12-25(21)13-14-28-2/h6-9,11-12,15,19H,3-5,10,13-14,16H2,1-2H3
• InChIKey: VQEPIVCUAVBIOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-1H-indole
• IUPAC Traditional name: 1-ethyl-5-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}indole
• Synonyms: 1-ethyl-5-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8987867
• LogD (pH = 7.4): 2.5295684
• Log P: 2.5573893
• Molar Refractivity: 110.6395 cm^3
• Polarizability: 42.98917 Å^3
• Polar Surface Area: 52.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.49
• LOG S: -3.25
• Polar Surface Area: 52.29 Å^2
• Rotatable Bonds: 6