1-{2-[(5-methyl-2-phenyl-1H-imidazol-4-yl)formamido]ethyl}piperidine-3-carboxamide

• ChemBase ID: 646130
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(nc([nH]c1C)c1ccccc1)C(=O)NCCN1CC(C(=O)N)CCC1
• Canonical SMILES: NC(=O)C1CCCN(C1)CCNC(=O)c1nc([nH]c1C)c1ccccc1
• InChI: InChI=1S/C19H25N5O2/c1-13-16(23-18(22-13)14-6-3-2-4-7-14)19(26)21-9-11-24-10-5-8-15(12-24)17(20)25/h2-4,6-7,15H,5,8-12H2,1H3,(H2,20,25)(H,21,26)(H,22,23)
• InChIKey: ISJUYMDMEJCCRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(5-methyl-2-phenyl-1H-imidazol-4-yl)formamido]ethyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-{2-[(5-methyl-2-phenyl-1H-imidazol-4-yl)formamido]ethyl}piperidine-3-carboxamide
• Synonyms: 1-(2-{[(5-methyl-2-phenyl-1H-imidazol-4-yl)carbonyl]amino}ethyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.621448
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.6098692
• LogD (pH = 7.4): 0.16667202
• Log P: 0.8521916
• Molar Refractivity: 110.9364 cm^3
• Polarizability: 38.7516 Å^3
• Polar Surface Area: 104.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.88
• LOG S: -2.54
• Polar Surface Area: 104.11 Å^2
• Rotatable Bonds: 6