2-{4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-6-methylpyridine

• ChemBase ID: 334405
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: n1(c(ncc1)C1CCN(C(=O)c2nc(ccc2)C)CC1)CC1CCC1
• Canonical SMILES: Cc1cccc(n1)C(=O)N1CCC(CC1)c1nccn1CC1CCC1
• InChI: InChI=1S/C20H26N4O/c1-15-4-2-7-18(22-15)20(25)23-11-8-17(9-12-23)19-21-10-13-24(19)14-16-5-3-6-16/h2,4,7,10,13,16-17H,3,5-6,8-9,11-12,14H2,1H3
• InChIKey: PTHBUFQWXIQVFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-6-methylpyridine
• IUPAC Traditional name: 2-{4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl}-6-methylpyridine
• Synonyms: 2-({4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-6-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6134652
• LogD (pH = 7.4): 2.2633865
• Log P: 2.2939053
• Molar Refractivity: 97.6238 cm^3
• Polarizability: 37.317253 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.62
• LOG S: -3.05
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4