N-[1-cyclopentyl-7-(3-methylpiperidine-1-carbonyl)-1H-1,3-benzodiazol-5-yl]benzamide

• ChemBase ID: 362986
• Molecular Formular: C26H30N4O2
• Molecular Mass: 430.542
• Monoisotopic Mass: 430.23687622
• SMILES: c1(c2n(cnc2cc(NC(=O)c2ccccc2)c1)C1CCCC1)C(=O)N1CC(CCC1)C
• Canonical SMILES: CC1CCCN(C1)C(=O)c1cc(NC(=O)c2ccccc2)cc2c1n(cn2)C1CCCC1
• InChI: InChI=1S/C26H30N4O2/c1-18-8-7-13-29(16-18)26(32)22-14-20(28-25(31)19-9-3-2-4-10-19)15-23-24(22)30(17-27-23)21-11-5-6-12-21/h2-4,9-10,14-15,17-18,21H,5-8,11-13,16H2,1H3,(H,28,31)
• InChIKey: CGNJOJRWIWWBGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-cyclopentyl-7-(3-methylpiperidine-1-carbonyl)-1H-1,3-benzodiazol-5-yl]benzamide
• IUPAC Traditional name: N-[1-cyclopentyl-7-(3-methylpiperidine-1-carbonyl)-1,3-benzodiazol-5-yl]benzamide
• Synonyms: N-{1-cyclopentyl-7-[(3-methyl-1-piperidinyl)carbonyl]-1H-benzimidazol-5-yl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.612453
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.3792725
• LogD (pH = 7.4): 4.442213
• Log P: 4.443098
• Molar Refractivity: 127.2973 cm^3
• Polarizability: 48.8158 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.69
• LOG S: -6.71
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4