N-[3-(5-chloro-1H-1,3-benzodiazol-2-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 544786
• Molecular Formular: C18H16ClN5O
• Molecular Mass: 353.80554
• Monoisotopic Mass: 353.10433784
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCCc1nc2c([nH]1)ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc([nH]2)CCCNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C18H16ClN5O/c19-13-4-5-14-15(10-13)23-16(22-14)2-1-7-21-18(25)12-3-6-17-20-8-9-24(17)11-12/h3-6,8-11H,1-2,7H2,(H,21,25)(H,22,23)
• InChIKey: GVTXAIJYXFBBNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-chloro-1H-1,3-benzodiazol-2-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[3-(5-chloro-1H-1,3-benzodiazol-2-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[3-(5-chloro-1H-benzimidazol-2-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.731909
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2546473
• LogD (pH = 7.4): 2.0200353
• Log P: 2.0474823
• Molar Refractivity: 97.0208 cm^3
• Polarizability: 37.421288 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.37
• LOG S: -4.91
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 5