(5-{1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-imidazol-2-yl}furan-2-yl)methanol

• ChemBase ID: 372097
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(n(Cc2nc3c(c(n2)C)CCCC3)ccn1)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1nccn1Cc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C18H20N4O2/c1-12-14-4-2-3-5-15(14)21-17(20-12)10-22-9-8-19-18(22)16-7-6-13(11-23)24-16/h6-9,23H,2-5,10-11H2,1H3
• InChIKey: NMFQPDUYAOREQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-imidazol-2-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]imidazol-2-yl}furan-2-yl)methanol
• Synonyms: (5-{1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-imidazol-2-yl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.70516
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9590821
• LogD (pH = 7.4): 2.039243
• Log P: 2.040379
• Molar Refractivity: 100.5329 cm^3
• Polarizability: 34.56023 Å^3
• Polar Surface Area: 76.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.13
• LOG S: -2.53
• Polar Surface Area: 76.97 Å^2
• Rotatable Bonds: 4