2-cyclopentyl-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide

• ChemBase ID: 750218
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: n1c([nH]cc1)CNC(=O)C(c1ccccc1)C1CCCC1
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)NCc1ncc[nH]1
• InChI: InChI=1S/C17H21N3O/c21-17(20-12-15-18-10-11-19-15)16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,16H,4-5,8-9,12H2,(H,18,19)(H,20,21)
• InChIKey: XSZQWYVSJAXJIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
• IUPAC Traditional name: 2-cyclopentyl-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
• Synonyms: 2-cyclopentyl-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.56747
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7734534
• LogD (pH = 7.4): 2.381845
• Log P: 2.4068825
• Molar Refractivity: 82.1028 cm^3
• Polarizability: 31.945614 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.03
• LOG S: -3.0
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 5