5-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-1-ethyl-1H-indole

• ChemBase ID: 683230
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: n1(c(ncc1)C1CCN(C(=O)c2cc3c(n(cc3)CC)cc2)CC1)CC1CC1
• Canonical SMILES: CCn1ccc2c1ccc(c2)C(=O)N1CCC(CC1)c1nccn1CC1CC1
• InChI: InChI=1S/C23H28N4O/c1-2-25-11-9-19-15-20(5-6-21(19)25)23(28)26-12-7-18(8-13-26)22-24-10-14-27(22)16-17-3-4-17/h5-6,9-11,14-15,17-18H,2-4,7-8,12-13,16H2,1H3
• InChIKey: VAIXIEHQJTVUID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-1-ethyl-1H-indole
• IUPAC Traditional name: 5-{4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl}-1-ethylindole
• Synonyms: 5-({4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-1-ethyl-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5486822
• LogD (pH = 7.4): 3.198517
• Log P: 3.2290344
• Molar Refractivity: 111.692 cm^3
• Polarizability: 43.422462 Å^3
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.33
• LOG S: -3.94
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 5