2-(4,5-dihydro-1H-imidazol-2-yl)quinoxaline

• ChemBase ID: 237809
• Molecular Formular: C11H10N4
• Molecular Mass: 198.2239
• Monoisotopic Mass: 198.09054634
• SMILES: c1(nc2c(nc1)cccc2)C1=NCCN1
• Canonical SMILES: C1CN=C(N1)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C11H10N4/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
• InChIKey: MQSSFHXQKUSFIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,5-dihydro-1H-imidazol-2-yl)quinoxaline
• IUPAC Traditional name: 2-(4,5-dihydro-1H-imidazol-2-yl)quinoxaline
• Synonyms: 2-(4,5-dihydro-1H-imidazol-2-yl)quinoxaline

Database IDs

• MDL Number: MFCD20668144
• PubChem SID: 164293719
• PubChem CID: 4520732

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3712427
• LogD (pH = 7.4): 0.92068875
• Log P: 0.9351577
• Molar Refractivity: 56.0383 cm^3
• Polarizability: 22.720467 Å^3
• Polar Surface Area: 50.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.783

Product Information

• Purity: 95%