[(4-fluorophenyl)methyl]({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})(pyridin-4-ylmethyl)amine

• ChemBase ID: 844783
• Molecular Formular: C20H23FN4O
• Molecular Mass: 354.4212232
• Monoisotopic Mass: 354.1855896
• SMILES: c1(n(ccn1)CCOC)CN(Cc1ccc(F)cc1)Cc1ccncc1
• Canonical SMILES: COCCn1ccnc1CN(Cc1ccc(cc1)F)Cc1ccncc1
• InChI: InChI=1S/C20H23FN4O/c1-26-13-12-25-11-10-23-20(25)16-24(15-18-6-8-22-9-7-18)14-17-2-4-19(21)5-3-17/h2-11H,12-16H2,1H3
• InChIKey: MFMGIFDGHXDQDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl]({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl]({[1-(2-methoxyethyl)imidazol-2-yl]methyl})(pyridin-4-ylmethyl)amine
• Synonyms: (4-fluorobenzyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(pyridin-4-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5818385
• LogD (pH = 7.4): 2.3866677
• Log P: 2.4200153
• Molar Refractivity: 100.1074 cm^3
• Polarizability: 38.261368 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.69
• LOG S: -0.92
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 9