N-ethyl-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 471678
• Molecular Formular: C20H21N5O2
• Molecular Mass: 363.41304
• Monoisotopic Mass: 363.16952494
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(CCc1nc2c([nH]1)ccc(c2)OC)CC
• Canonical SMILES: COc1ccc2c(c1)nc([nH]2)CCN(C(=O)c1nc2n(c1)cccc2)CC
• InChI: InChI=1S/C20H21N5O2/c1-3-24(20(26)17-13-25-10-5-4-6-19(25)23-17)11-9-18-21-15-8-7-14(27-2)12-16(15)22-18/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,21,22)
• InChIKey: IJMZINVQIREOCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-ethyl-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-ethyl-N-[2-(5-methoxy-1H-benzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.138741
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5021505
• LogD (pH = 7.4): 1.9525497
• Log P: 1.9634393
• Molar Refractivity: 103.1975 cm^3
• Polarizability: 39.91593 Å^3
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.51
• LOG S: -5.1
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 6