4-{2-[5-(1-ethyl-1H-imidazol-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}morpholine

• ChemBase ID: 699490
• Molecular Formular: C20H25N5O
• Molecular Mass: 351.4454
• Monoisotopic Mass: 351.20591045
• SMILES: c1(c2n(ccn2)CC)c(ncn1CCN1CCOCC1)c1ccccc1
• Canonical SMILES: CCn1ccnc1c1n(CCN2CCOCC2)cnc1c1ccccc1
• InChI: InChI=1S/C20H25N5O/c1-2-24-9-8-21-20(24)19-18(17-6-4-3-5-7-17)22-16-25(19)11-10-23-12-14-26-15-13-23/h3-9,16H,2,10-15H2,1H3
• InChIKey: YNLICTYARFPXQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[5-(1-ethyl-1H-imidazol-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl}morpholine
• Synonyms: 1-ethyl-3'-(2-morpholin-4-ylethyl)-5'-phenyl-1H,3'H-2,4'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4245333
• LogD (pH = 7.4): 2.1313753
• Log P: 2.318457
• Molar Refractivity: 113.3465 cm^3
• Polarizability: 41.26868 Å^3
• Polar Surface Area: 48.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.2
• LOG S: -2.63
• Polar Surface Area: 48.11 Å^2
• Rotatable Bonds: 6