1-benzyl-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-5-one

• ChemBase ID: 219634
• Molecular Formular: C17H15N3O
• Molecular Mass: 277.3205
• Monoisotopic Mass: 277.12151212
• SMILES: n12c(nc3c(c1=O)cccc3)N(CC2)Cc1ccccc1
• Canonical SMILES: O=c1n2CCN(c2nc2c1cccc2)Cc1ccccc1
• InChI: InChI=1S/C17H15N3O/c21-16-14-8-4-5-9-15(14)18-17-19(10-11-20(16)17)12-13-6-2-1-3-7-13/h1-9H,10-12H2
• InChIKey: ULSGQNUAMPJFAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-5-one
• IUPAC Traditional name: 1-benzyl-2H,3H-imidazolidino[2,1-b]quinazolin-5-one

Database IDs

• PubChem SID: 164275544
• PubChem CID: 2806960

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5752554
• LogD (pH = 7.4): 2.8092334
• Log P: 2.8132713
• Molar Refractivity: 83.7983 cm^3
• Polarizability: 30.500595 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds