1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine

C16H25N3OS — CID 141082382

IUPAC1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine
SMILESCCCCS(=O)CCCCn1cnc2cnc(C)c(C)c21
InChIInChI=1S/C16H25N3OS/c1-4-5-9-21(20)10-7-6-8-19-12-18-15-11-17-14(3)13(2)16(15)19/h11-12H,4-10H2,1-3H3
InChIKeyQBJQFLPHWAOUAR-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.38
Rot. Bonds8

About 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine

1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine (PubChem CID 141082382) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine
PubChem CID141082382
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine
SMILESCCCCS(=O)CCCCn1cnc2cnc(C)c(C)c21
InChIInChI=1S/C16H25N3OS/c1-4-5-9-21(20)10-7-6-8-19-12-18-15-11-17-14(3)13(2)16(15)19/h11-12H,4-10H2,1-3H3
InChIKeyQBJQFLPHWAOUAR-UHFFFAOYSA-N
XLogP3.38
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine (CID 141082382) is 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine is CCCCS(=O)CCCCn1cnc2cnc(C)c(C)c21.
What is the InChIKey of 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine?
The InChIKey is QBJQFLPHWAOUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-5-9-21(20)10-7-6-8-19-12-18-15-11-17-14(3)13(2)16(15)19/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine?
1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine has a molecular weight of 307.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylsulfinylbutyl)-6,7-dimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).