N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 452904
• Molecular Formular: C20H23N5
• Molecular Mass: 333.43012
• Monoisotopic Mass: 333.19534576
• SMILES: n1c(ncc2c1CCCC2NCc1n(ccn1)CC)c1ccccc1
• Canonical SMILES: CCn1ccnc1CNC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C20H23N5/c1-2-25-12-11-21-19(25)14-22-17-9-6-10-18-16(17)13-23-20(24-18)15-7-4-3-5-8-15/h3-5,7-8,11-13,17,22H,2,6,9-10,14H2,1H3
• InChIKey: ICMUAWKBLMDMRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6320919
• LogD (pH = 7.4): 2.9497273
• Log P: 3.1064866
• Molar Refractivity: 109.6791 cm^3
• Polarizability: 38.77017 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.66
• LOG S: -3.94
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4