2-{[(1-benzyl-1H-imidazol-2-yl)methyl]amino}-N-cyclopentylpropanamide

• ChemBase ID: 484899
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: n1(c(ncc1)CNC(C(=O)NC1CCCC1)C)Cc1ccccc1
• Canonical SMILES: O=C(C(NCc1nccn1Cc1ccccc1)C)NC1CCCC1
• InChI: InChI=1S/C19H26N4O/c1-15(19(24)22-17-9-5-6-10-17)21-13-18-20-11-12-23(18)14-16-7-3-2-4-8-16/h2-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2,1H3,(H,22,24)
• InChIKey: PCKAKPDTLXZMIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(1-benzyl-1H-imidazol-2-yl)methyl]amino}-N-cyclopentylpropanamide
• IUPAC Traditional name: 2-{[(1-benzylimidazol-2-yl)methyl]amino}-N-cyclopentylpropanamide
• Synonyms: 2-{[(1-benzyl-1H-imidazol-2-yl)methyl]amino}-N-cyclopentylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.339175
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0139493
• LogD (pH = 7.4): 2.1695902
• Log P: 2.252623
• Molar Refractivity: 94.8077 cm^3
• Polarizability: 37.077797 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.01
• LOG S: -3.3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 7