N-methyl-2-phenyl-N-[(2E)-3-phenylprop-2-en-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 524956
• Molecular Formular: C24H21N3O
• Molecular Mass: 367.44304
• Monoisotopic Mass: 367.16846231
• SMILES: c1(cn2c(nc(c2)c2ccccc2)cc1)C(=O)N(C/C=C/c1ccccc1)C
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)N(C/C=C/c1ccccc1)C
• InChI: InChI=1S/C24H21N3O/c1-26(16-8-11-19-9-4-2-5-10-19)24(28)21-14-15-23-25-22(18-27(23)17-21)20-12-6-3-7-13-20/h2-15,17-18H,16H2,1H3/b11-8+
• InChIKey: WQBMWTBPTJGRGM-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenyl-N-[(2E)-3-phenylprop-2-en-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-methyl-2-phenyl-N-[(2E)-3-phenylprop-2-en-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-methyl-2-phenyl-N-[(2E)-3-phenylprop-2-en-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.237044
• LogD (pH = 7.4): 4.422008
• Log P: 4.4250064
• Molar Refractivity: 114.5036 cm^3
• Polarizability: 43.947502 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.81
• LOG S: -5.13
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5