N-{2-[2-(6-methylhept-5-en-2-yl)-1H-imidazol-1-yl]ethyl}acetamide

• ChemBase ID: 455735
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: c1(n(ccn1)CCNC(=O)C)C(CCC=C(C)C)C
• Canonical SMILES: CC(=O)NCCn1ccnc1C(CCC=C(C)C)C
• InChI: InChI=1S/C15H25N3O/c1-12(2)6-5-7-13(3)15-17-9-11-18(15)10-8-16-14(4)19/h6,9,11,13H,5,7-8,10H2,1-4H3,(H,16,19)
• InChIKey: NGRIXLBYTJZIOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(6-methylhept-5-en-2-yl)-1H-imidazol-1-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethyl}acetamide
• Synonyms: N-{2-[2-(1,5-dimethylhex-4-en-1-yl)-1H-imidazol-1-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.714178
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1633106
• LogD (pH = 7.4): 1.9794053
• Log P: 2.1266158
• Molar Refractivity: 78.7478 cm^3
• Polarizability: 30.128155 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.07
• LOG S: -2.89
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 7