10-benzyl-2H,3H,5H,10H-imidazo[2,1-b]quinazolin-5-one

• ChemBase ID: 220353
• Molecular Formular: C17H15N3O
• Molecular Mass: 277.3205
• Monoisotopic Mass: 277.12151212
• SMILES: c12=NCCn1c(=O)c1c(n2Cc2ccccc2)cccc1
• Canonical SMILES: O=c1n2CCN=c2n(c2c1cccc2)Cc1ccccc1
• InChI: InChI=1S/C17H15N3O/c21-16-14-8-4-5-9-15(14)20(17-18-10-11-19(16)17)12-13-6-2-1-3-7-13/h1-9H,10-12H2
• InChIKey: OOVVXNJOLXGIBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-benzyl-2H,3H,5H,10H-imidazo[2,1-b]quinazolin-5-one
• IUPAC Traditional name: 10-benzyl-2H,3H-imidazo[2,1-b]quinazolin-5-one

Database IDs

• PubChem SID: 164276263
• PubChem CID: 4134515

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.885742
• LogD (pH = 7.4): 2.930244
• Log P: 2.9308422
• Molar Refractivity: 82.505 cm^3
• Polarizability: 30.51972 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