1-{2-[2-(9H-fluoren-2-yl)-1H-imidazol-1-yl]ethyl}imidazolidin-2-one

• ChemBase ID: 762822
• Molecular Formular: C21H20N4O
• Molecular Mass: 344.4097
• Monoisotopic Mass: 344.16371128
• SMILES: c1(n(ccn1)CCN1C(=O)NCC1)c1cc2c(c3c(C2)cccc3)cc1
• Canonical SMILES: O=C1NCCN1CCn1ccnc1c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C21H20N4O/c26-21-23-8-10-25(21)12-11-24-9-7-22-20(24)16-5-6-19-17(14-16)13-15-3-1-2-4-18(15)19/h1-7,9,14H,8,10-13H2,(H,23,26)
• InChIKey: MRZJAXSSFNGNQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[2-(9H-fluoren-2-yl)-1H-imidazol-1-yl]ethyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{2-[2-(9H-fluoren-2-yl)imidazol-1-yl]ethyl}imidazolidin-2-one
• Synonyms: 1-{2-[2-(9H-fluoren-2-yl)-1H-imidazol-1-yl]ethyl}imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.985628
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.243221
• LogD (pH = 7.4): 2.8122237
• Log P: 2.8331401
• Molar Refractivity: 111.7212 cm^3
• Polarizability: 40.24516 Å^3
• Polar Surface Area: 50.16 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 1
• Log P: 3.12
• LOG S: -5.49
• Polar Surface Area: 50.16 Å^2