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

• ChemBase ID: 767362
• Molecular Formular: C23H23N5O
• Molecular Mass: 385.46162
• Monoisotopic Mass: 385.19026038
• SMILES: c1(c2n(c3ncccc3)ccc2)n(cnc1c1ccccc1)CC1OCCNC1
• Canonical SMILES: C1COC(CN1)Cn1cnc(c1c1cccn1c1ccccn1)c1ccccc1
• InChI: InChI=1S/C23H23N5O/c1-2-7-18(8-3-1)22-23(27(17-26-22)16-19-15-24-12-14-29-19)20-9-6-13-28(20)21-10-4-5-11-25-21/h1-11,13,17,19,24H,12,14-16H2
• InChIKey: CIHDRAWRXISXJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({4-phenyl-5-[1-(pyridin-2-yl)-1H-pyrrol-2-yl]-1H-imidazol-1-yl}methyl)morpholine
• IUPAC Traditional name: 2-({4-phenyl-5-[1-(pyridin-2-yl)pyrrol-2-yl]imidazol-1-yl}methyl)morpholine
• Synonyms: 2-{[4-phenyl-5-(1-pyridin-2-yl-1H-pyrrol-2-yl)-1H-imidazol-1-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.44186917
• LogD (pH = 7.4): 2.314904
• Log P: 3.413922
• Molar Refractivity: 122.943 cm^3
• Polarizability: 46.14234 Å^3
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -3.44
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 5