N-(2-{2-[3-(cyclopentyloxy)phenyl]-1H-imidazol-1-yl}ethyl)acetamide

• ChemBase ID: 740643
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(n(ccn1)CCNC(=O)C)c1cc(OC2CCCC2)ccc1
• Canonical SMILES: CC(=O)NCCn1ccnc1c1cccc(c1)OC1CCCC1
• InChI: InChI=1S/C18H23N3O2/c1-14(22)19-9-11-21-12-10-20-18(21)15-5-4-8-17(13-15)23-16-6-2-3-7-16/h4-5,8,10,12-13,16H,2-3,6-7,9,11H2,1H3,(H,19,22)
• InChIKey: DXNZUUGNNXOYJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{2-[3-(cyclopentyloxy)phenyl]-1H-imidazol-1-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{2-[3-(cyclopentyloxy)phenyl]imidazol-1-yl}ethyl)acetamide
• Synonyms: N-(2-{2-[3-(cyclopentyloxy)phenyl]-1H-imidazol-1-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.423911
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7557794
• LogD (pH = 7.4): 2.3031251
• Log P: 2.3221154
• Molar Refractivity: 99.2811 cm^3
• Polarizability: 35.135433 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.2
• LOG S: -3.36
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6