2-[5-(4-methyl-1H-imidazol-5-yl)-4-phenyl-1H-imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 563966
• Molecular Formular: C18H16N6OS
• Molecular Mass: 364.42424
• Monoisotopic Mass: 364.11063016
• SMILES: c1(n(cnc1c1ccccc1)CC(=O)Nc1nccs1)c1c(nc[nH]1)C
• Canonical SMILES: O=C(Cn1cnc(c1c1[nH]cnc1C)c1ccccc1)Nc1nccs1
• InChI: InChI=1S/C18H16N6OS/c1-12-15(21-10-20-12)17-16(13-5-3-2-4-6-13)22-11-24(17)9-14(25)23-18-19-7-8-26-18/h2-8,10-11H,9H2,1H3,(H,20,21)(H,19,23,25)
• InChIKey: OJGVMOWTOQSEQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(4-methyl-1H-imidazol-5-yl)-4-phenyl-1H-imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-[5-(5-methyl-3H-imidazol-4-yl)-4-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• Synonyms: 2-(5'-methyl-5-phenyl-3H,3'H-4,4'-biimidazol-3-yl)-N-1,3-thiazol-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.572035
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2631649
• LogD (pH = 7.4): 1.8494319
• Log P: 1.8669833
• Molar Refractivity: 100.1548 cm^3
• Polarizability: 39.8648 Å^3
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.43
• LOG S: -5.63
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 5