2-ethyl-4-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}pyrimidine

• ChemBase ID: 699182
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: c1(n(cnc1c1ccccc1)Cc1nnc(o1)C)c1nc(ncc1)CC
• Canonical SMILES: CCc1nccc(n1)c1n(cnc1c1ccccc1)Cc1nnc(o1)C
• InChI: InChI=1S/C19H18N6O/c1-3-16-20-10-9-15(22-16)19-18(14-7-5-4-6-8-14)21-12-25(19)11-17-24-23-13(2)26-17/h4-10,12H,3,11H2,1-2H3
• InChIKey: LOKUSEWOLYBOEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}pyrimidine
• IUPAC Traditional name: 2-ethyl-4-{3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylimidazol-4-yl}pyrimidine
• Synonyms: 2-ethyl-4-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.174734
• LogD (pH = 7.4): 2.2351098
• Log P: 2.235943
• Molar Refractivity: 98.5369 cm^3
• Polarizability: 39.097122 Å^3
• Polar Surface Area: 82.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.83
• LOG S: -4.14
• Polar Surface Area: 82.52 Å^2
• Rotatable Bonds: 5