2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine

C21H26N2OS — CID 135215156

IUPAC2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
SMILESCCCCOc1ccc(-c2cn3cc(SCCCC)ccc3n2)cc1
InChIInChI=1S/C21H26N2OS/c1-3-5-13-24-18-9-7-17(8-10-18)20-16-23-15-19(25-14-6-4-2)11-12-21(23)22-20/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKeyALQHBHKGAOVCEV-UHFFFAOYSA-N
MW354.52 g/mol
LogP6.07
Rot. Bonds9

About 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine

2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine (PubChem CID 135215156) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
PubChem CID135215156
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
SMILESCCCCOc1ccc(-c2cn3cc(SCCCC)ccc3n2)cc1
InChIInChI=1S/C21H26N2OS/c1-3-5-13-24-18-9-7-17(8-10-18)20-16-23-15-19(25-14-6-4-2)11-12-21(23)22-20/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKeyALQHBHKGAOVCEV-UHFFFAOYSA-N
XLogP6.07
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine
CID 130385568
2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine
CID 4594185
2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide
CID 53347346
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11372173
3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol
CID 24880821
2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine
CID 68587943
1-dodecylsulfanyl-4-(4-pentoxyphenyl)benzene
CID 70387892
1-pentoxy-4-(4-undecylsulfanylphenyl)benzene
CID 70386945
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
CID 24880820
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine (CID 135215156) is 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine is CCCCOc1ccc(-c2cn3cc(SCCCC)ccc3n2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine?
The InChIKey is ALQHBHKGAOVCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-3-5-13-24-18-9-7-17(8-10-18)20-16-23-15-19(25-14-6-4-2)11-12-21(23)22-20/h7-12,15-16H,3-6,13-14H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine?
2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine has a molecular weight of 354.52 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 135215156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).