N-(1H-imidazol-2-yl)-3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxamide

• ChemBase ID: 226150
• Molecular Formular: C20H15N3O3
• Molecular Mass: 345.3514
• Monoisotopic Mass: 345.11134136
• SMILES: c12oc(c(c(=O)c2cccc1C(=O)Nc1ncc[nH]1)C)c1ccccc1
• Canonical SMILES: O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)Nc1ncc[nH]1
• InChI: InChI=1S/C20H15N3O3/c1-12-16(24)14-8-5-9-15(19(25)23-20-21-10-11-22-20)18(14)26-17(12)13-6-3-2-4-7-13/h2-11H,1H3,(H2,21,22,23,25)
• InChIKey: SJRSIUVLTAGQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-imidazol-2-yl)-3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxamide
• IUPAC Traditional name: N-(1H-imidazol-2-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

Database IDs

• PubChem SID: 164282060
• PubChem CID: 71692122

CALCULATED PROPERTIES

• Acid pKa: 10.374765
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.0147917
• LogD (pH = 7.4): 3.020083
• Log P: 3.0206003
• Molar Refractivity: 99.2899 cm^3
• Polarizability: 36.538387 Å^3
• Polar Surface Area: 84.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds