2-{[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]methyl}-4-methyl-5,6,7,8-tetrahydroquinazoline

• ChemBase ID: 382744
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(c2c(c(OC)ccc2)OC)n(Cc2nc3c(c(n2)C)CCCC3)ccn1
• Canonical SMILES: COc1cccc(c1OC)c1nccn1Cc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C21H24N4O2/c1-14-15-7-4-5-9-17(15)24-19(23-14)13-25-12-11-22-21(25)16-8-6-10-18(26-2)20(16)27-3/h6,8,10-12H,4-5,7,9,13H2,1-3H3
• InChIKey: YCCWWWHIAAUUAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]methyl}-4-methyl-5,6,7,8-tetrahydroquinazoline
• IUPAC Traditional name: 2-{[2-(2,3-dimethoxyphenyl)imidazol-1-yl]methyl}-4-methyl-5,6,7,8-tetrahydroquinazoline
• Synonyms: 2-{[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]methyl}-4-methyl-5,6,7,8-tetrahydroquinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0763297
• LogD (pH = 7.4): 3.4686573
• Log P: 3.4778187
• Molar Refractivity: 114.375 cm^3
• Polarizability: 40.259514 Å^3
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.32
• LOG S: -4.69
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 5