6-chloro-3-({[(4-ethylphenyl)methyl](methyl)amino}methyl)-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 437232
• Molecular Formular: C21H25ClN4O
• Molecular Mass: 384.9024
• Monoisotopic Mass: 384.17168912
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)CN(Cc1ccc(cc1)CC)C)C(=O)N(C)C
• Canonical SMILES: CCc1ccc(cc1)CN(Cc1c(nc2n1cc(Cl)cc2)C(=O)N(C)C)C
• InChI: InChI=1S/C21H25ClN4O/c1-5-15-6-8-16(9-7-15)12-25(4)14-18-20(21(27)24(2)3)23-19-11-10-17(22)13-26(18)19/h6-11,13H,5,12,14H2,1-4H3
• InChIKey: CZAZWBZCYBAFFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-({[(4-ethylphenyl)methyl](methyl)amino}methyl)-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-3-({[(4-ethylphenyl)methyl](methyl)amino}methyl)-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-3-{[(4-ethylbenzyl)(methyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Polarizability: 41.9265 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5133576
• LogD (pH = 7.4): 3.184715
• Log P: 3.5912979
• Molar Refractivity: 111.916 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0
• Log P: 3.36
• LOG S: -3.8