benzyl({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})(1,3-thiazol-2-ylmethyl)amine

• ChemBase ID: 593066
• Molecular Formular: C18H22N4OS
• Molecular Mass: 342.45848
• Monoisotopic Mass: 342.15143234
• SMILES: c1(n(ccn1)CCOC)CN(Cc1nccs1)Cc1ccccc1
• Canonical SMILES: COCCn1ccnc1CN(Cc1nccs1)Cc1ccccc1
• InChI: InChI=1S/C18H22N4OS/c1-23-11-10-22-9-7-19-17(22)14-21(15-18-20-8-12-24-18)13-16-5-3-2-4-6-16/h2-9,12H,10-11,13-15H2,1H3
• InChIKey: AUEQUVHXLUZEKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})(1,3-thiazol-2-ylmethyl)amine
• IUPAC Traditional name: benzyl({[1-(2-methoxyethyl)imidazol-2-yl]methyl})(1,3-thiazol-2-ylmethyl)amine
• Synonyms: N-benzyl-1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6588466
• LogD (pH = 7.4): 2.2090125
• Log P: 2.226945
• Molar Refractivity: 96.5833 cm^3
• Polarizability: 37.28648 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: 1.39
• LOG S: -1.87
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 9