2-(furan-2-yl)-1,3-diphenylimidazolidine

• ChemBase ID: 296729
• Molecular Formular: C19H18N2O
• Molecular Mass: 290.35902
• Monoisotopic Mass: 290.14191321
• SMILES: o1c(ccc1)C1N(CCN1c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)N1CCN(C1c1ccco1)c1ccccc1
• InChI: InChI=1S/C19H18N2O/c1-3-8-16(9-4-1)20-13-14-21(17-10-5-2-6-11-17)19(20)18-12-7-15-22-18/h1-12,15,19H,13-14H2
• InChIKey: GGKPIWBVFHMQMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-1,3-diphenylimidazolidine
• IUPAC Traditional name: 2-(furan-2-yl)-1,3-diphenylimidazolidine
• Synonyms: 2-(2-Furyl)-1,3-diphenylimidazolidine; 2-(2-呋喃基)1,3-二苯基咪唑啉

Database IDs

• CAS Number: 94378-00-4
• MDL Number: MFCD00225139
• PubChem SID: 180682260
• PubChem CID: 680997

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.930127
• LogD (pH = 7.4): 4.930127
• Log P: 4.930127
• Molar Refractivity: 88.7763 cm^3
• Polarizability: 33.469944 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129-131°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%