1-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]imidazolidin-2-one

• ChemBase ID: 186903
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: C12(C(C(CC1OCCN1C(=O)NCC1)CC2)(C)C)C
• Canonical SMILES: O=C1NCCN1CCOC1CC2C(C1(C)CC2)(C)C
• InChI: InChI=1S/C15H26N2O2/c1-14(2)11-4-5-15(14,3)12(10-11)19-9-8-17-7-6-16-13(17)18/h11-12H,4-10H2,1-3H3,(H,16,18)
• InChIKey: QKLHEJLHOYNPCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]imidazolidin-2-one

Database IDs

• PubChem SID: 164242813
• PubChem CID: 4220737

CALCULATED PROPERTIES

• Acid pKa: 14.341987
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5967288
• LogD (pH = 7.4): 1.5967288
• Log P: 1.5967288
• Molar Refractivity: 73.9602 cm^3
• Polarizability: 29.213253 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds