2-cyclopentyl-N-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)methyl]-2-phenylacetamide

• ChemBase ID: 777857
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: n1c(n(c2c1cc(CNC(=O)C(c1ccccc1)C1CCCC1)cc2)C)C
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)NCc1ccc2c(c1)nc(n2C)C
• InChI: InChI=1S/C23H27N3O/c1-16-25-20-14-17(12-13-21(20)26(16)2)15-24-23(27)22(19-10-6-7-11-19)18-8-4-3-5-9-18/h3-5,8-9,12-14,19,22H,6-7,10-11,15H2,1-2H3,(H,24,27)
• InChIKey: FYRUWDXRLCCCDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)methyl]-2-phenylacetamide
• IUPAC Traditional name: 2-cyclopentyl-N-[(1,2-dimethyl-1,3-benzodiazol-5-yl)methyl]-2-phenylacetamide
• Synonyms: 2-cyclopentyl-N-[(1,2-dimethyl-1H-benzimidazol-5-yl)methyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.668961
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4261627
• LogD (pH = 7.4): 4.063232
• Log P: 4.085185
• Molar Refractivity: 108.0689 cm^3
• Polarizability: 43.01588 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.97
• LOG S: -5.23
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5