2-cyclopentyl-N-[2-(4-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-phenylacetamide

• ChemBase ID: 531210
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: n1c([nH]c2c1c(ccc2)C)CCNC(=O)C(c1ccccc1)C1CCCC1
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)NCCc1nc2c([nH]1)cccc2C
• InChI: InChI=1S/C23H27N3O/c1-16-8-7-13-19-22(16)26-20(25-19)14-15-24-23(27)21(18-11-5-6-12-18)17-9-3-2-4-10-17/h2-4,7-10,13,18,21H,5-6,11-12,14-15H2,1H3,(H,24,27)(H,25,26)
• InChIKey: LXLUBYHPCQSNKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-[2-(4-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-phenylacetamide
• IUPAC Traditional name: 2-cyclopentyl-N-[2-(4-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-phenylacetamide
• Synonyms: 2-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.314957
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.18058
• LogD (pH = 7.4): 4.553988
• Log P: 4.562045
• Molar Refractivity: 107.7991 cm^3
• Polarizability: 43.10502 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 4.43
• LOG S: -5.62
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 6