4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

• ChemBase ID: 724269
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: n1(c(ncc1)C1CCN(C(=O)c2n(ccc2)C)CC1)CC1CCC1
• Canonical SMILES: Cn1cccc1C(=O)N1CCC(CC1)c1nccn1CC1CCC1
• InChI: InChI=1S/C19H26N4O/c1-21-10-3-6-17(21)19(24)22-11-7-16(8-12-22)18-20-9-13-23(18)14-15-4-2-5-15/h3,6,9-10,13,15-16H,2,4-5,7-8,11-12,14H2,1H3
• InChIKey: XTUZCDJCBSNAEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine
• IUPAC Traditional name: 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(1-methylpyrrole-2-carbonyl)piperidine
• Synonyms: 4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5375663
• LogD (pH = 7.4): 2.1874008
• Log P: 2.2179184
• Molar Refractivity: 95.0942 cm^3
• Polarizability: 35.91818 Å^3
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 0.66
• LOG S: -2.14
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 4