1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine

C20H25N3OS — CID 141082298

IUPAC1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
SMILESCc1ncc2nc(C)n(CCCCCS(=O)c3ccccc3)c2c1C
InChIInChI=1S/C20H25N3OS/c1-15-16(2)21-14-19-20(15)23(17(3)22-19)12-8-5-9-13-25(24)18-10-6-4-7-11-18/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKeyOVYQWKNAKSHVIT-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.33
Rot. Bonds7

About 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine

1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine (PubChem CID 141082298) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
PubChem CID141082298
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
SMILESCc1ncc2nc(C)n(CCCCCS(=O)c3ccccc3)c2c1C
InChIInChI=1S/C20H25N3OS/c1-15-16(2)21-14-19-20(15)23(17(3)22-19)12-8-5-9-13-25(24)18-10-6-4-7-11-18/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKeyOVYQWKNAKSHVIT-UHFFFAOYSA-N
XLogP4.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.33
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-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine (CID 141082298) is 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine is Cc1ncc2nc(C)n(CCCCCS(=O)c3ccccc3)c2c1C.
What is the InChIKey of 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine?
The InChIKey is OVYQWKNAKSHVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-15-16(2)21-14-19-20(15)23(17(3)22-19)12-8-5-9-13-25(24)18-10-6-4-7-11-18/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3.
What are the key properties of 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine?
1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine has a molecular weight of 355.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).