5-[3-(4-Benzyl-1-Piperidinyl)-1-Propyn-1-Yl]-1,3-Dihydro-2H-Benzimidazol-2-One
[CAS# 302799-86-6]

Identification

• Name: 5-[3-(4-Benzyl-1-Piperidinyl)-1-Propyn-1-Yl]-1,3-Dihydro-2H-Benzimidazol-2-One
• Synonyms: [302799-86-6]; 1,3-Dihydro-5-[3-[4-(phenylmethyl)-1-2H-benzimidazol-2-one; 5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1,3-dihydro-benzoimidazol-2-one
• Molecular Formula: C₂₂H₂₃N₃O
• Molecular Weight: 345.44
• CAS Registry Number: 302799-86-6
• SMILES: C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC4=C(C=C3)NC(=O)N4
• InChI: 1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
• InChIKey: JJEXWPHPFZLTCU-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 440.4±38.0°C at 760 mmHg (Cal.)
• Flash point: 220.1±26.8°C (Cal.)
• Refractive index: 1.664 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol