1,4,5-trimethyl-2,3-dihydro-1H-imidazol-2-one

• ChemBase ID: 309987
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: c1(=O)n(c(c([nH]1)C)C)C
• Canonical SMILES: O=c1[nH]c(c(n1C)C)C
• InChI: InChI=1S/C6H10N2O/c1-4-5(2)8(3)6(9)7-4/h1-3H3,(H,7,9)
• InChIKey: WDRMVOGAURDGDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4,5-trimethyl-2,3-dihydro-1H-imidazol-2-one
• IUPAC Traditional name: 1,4,5-trimethyl-3H-imidazol-2-one
• Synonyms: 1,4,5-trimethyl-1,3-dihydro-2H-imidazol-2-one

Database IDs

• MDL Number: MFCD22548404

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.25994578
• LogD (pH = 7.4): 0.25990567
• Log P: 0.25994632
• Molar Refractivity: 36.8795 cm^3
• Polarizability: 13.168321 Å^3
• Polar Surface Area: 32.34 Å^2