1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}-4-(pyridin-3-ylmethyl)piperazine

• ChemBase ID: 468511
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)CN1CCN(Cc2cnccc2)CC1
• Canonical SMILES: COc1ccc(cc1)n1ccnc1CN1CCN(CC1)Cc1cccnc1
• InChI: InChI=1S/C21H25N5O/c1-27-20-6-4-19(5-7-20)26-10-9-23-21(26)17-25-13-11-24(12-14-25)16-18-3-2-8-22-15-18/h2-10,15H,11-14,16-17H2,1H3
• InChIKey: KWKBZIBHIGNDGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}-4-(pyridin-3-ylmethyl)piperazine
• IUPAC Traditional name: 1-{[1-(4-methoxyphenyl)imidazol-2-yl]methyl}-4-(pyridin-3-ylmethyl)piperazine
• Synonyms: 1-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}-4-(pyridin-3-ylmethyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.07327165
• LogD (pH = 7.4): 1.6860455
• Log P: 1.9472225
• Molar Refractivity: 116.8451 cm^3
• Polarizability: 42.0136 Å^3
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.84
• LOG S: -1.11
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 6