N-[(2-chlorophenyl)methyl]-N-(prop-2-en-1-yl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 725563
• Molecular Formular: C18H16ClN3O
• Molecular Mass: 325.79214
• Monoisotopic Mass: 325.09818983
• SMILES: c1(C(=O)N(Cc2c(Cl)cccc2)CC=C)cn2c(ncc2)cc1
• Canonical SMILES: C=CCN(C(=O)c1ccc2n(c1)ccn2)Cc1ccccc1Cl
• InChI: InChI=1S/C18H16ClN3O/c1-2-10-22(12-14-5-3-4-6-16(14)19)18(23)15-7-8-17-20-9-11-21(17)13-15/h2-9,11,13H,1,10,12H2
• InChIKey: NQIHDNSZUOORBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chlorophenyl)methyl]-N-(prop-2-en-1-yl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(2-chlorophenyl)methyl]-N-(prop-2-en-1-yl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-allyl-N-(2-chlorobenzyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4914234
• LogD (pH = 7.4): 3.093048
• Log P: 3.1173096
• Molar Refractivity: 93.3883 cm^3
• Polarizability: 34.701424 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: 3.59
• LOG S: -4.64
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5