1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine

C17H19N3OS — CID 141082530

IUPAC1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine
SMILESCc1cncc2nc(C)n(CCCS(=O)c3ccccc3)c12
InChIInChI=1S/C17H19N3OS/c1-13-11-18-12-16-17(13)20(14(2)19-16)9-6-10-22(21)15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyVEXARFBRFMIJJX-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.25
Rot. Bonds5

About 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine

1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine (PubChem CID 141082530) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine
PubChem CID141082530
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine
SMILESCc1cncc2nc(C)n(CCCS(=O)c3ccccc3)c12
InChIInChI=1S/C17H19N3OS/c1-13-11-18-12-16-17(13)20(14(2)19-16)9-6-10-22(21)15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyVEXARFBRFMIJJX-UHFFFAOYSA-N
XLogP3.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine (CID 141082530) is 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine is Cc1cncc2nc(C)n(CCCS(=O)c3ccccc3)c12.
What is the InChIKey of 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine?
The InChIKey is VEXARFBRFMIJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-13-11-18-12-16-17(13)20(14(2)19-16)9-6-10-22(21)15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3.
What are the key properties of 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine?
1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine has a molecular weight of 313.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).