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

• ChemBase ID: 113381
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: n12c(nc3c(c1=O)cccc3)NCC2
• Canonical SMILES: O=c1c2ccccc2nc2n1CCN2
• InChI: InChI=1S/C10H9N3O/c14-9-7-3-1-2-4-8(7)12-10-11-5-6-13(9)10/h1-4H,5-6H2,(H,11,12)
• InChIKey: HSHIBZRPJZBQRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-5-one
• IUPAC Traditional name: 1H,2H,3H-imidazolidino[2,1-b]quinazolin-5-one
• Synonyms: 2,3-Dihydroimidazo[2,1-b]quinazolin-5(1H)-one

Database IDs

• MDL Number: MFCD00838601
• PubChem SID: 162097929
• PubChem CID: 5310889

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5801059
• LogD (pH = 7.4): 0.82258826
• Log P: 0.82682216
• Molar Refractivity: 53.891 cm^3
• Polarizability: 19.082954 Å^3
• Polar Surface Area: 44.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.387

Product Information

• Purity: 95+%
• Classification: Derivatives & analogs of Natural Compounds