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

C19H23N3OS — CID 141082510

IUPAC1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine
SMILESCc1cncc2nc(C)n(CCCCCS(=O)c3ccccc3)c12
InChIInChI=1S/C19H23N3OS/c1-15-13-20-14-18-19(15)22(16(2)21-18)11-7-4-8-12-24(23)17-9-5-3-6-10-17/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3
InChIKeyBMWLBHSUCZKXRJ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.03
Rot. Bonds7

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

1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine (PubChem CID 141082510) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine
PubChem CID141082510
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine
SMILESCc1cncc2nc(C)n(CCCCCS(=O)c3ccccc3)c12
InChIInChI=1S/C19H23N3OS/c1-15-13-20-14-18-19(15)22(16(2)21-18)11-7-4-8-12-24(23)17-9-5-3-6-10-17/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3
InChIKeyBMWLBHSUCZKXRJ-UHFFFAOYSA-N
XLogP4.03
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.03
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

1-[3-(benzenesulfinyl)propyl]-2,7-dimethylimidazo[4,5-c]pyridine
CID 141082530
1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
CID 141082298
6-(benzenesulfinyl)hexylsulfinylbenzene
CID 15525512
1-[4-(benzenesulfinyl)butyl]imidazole
CID 58580469
6-(2-methylbenzimidazol-1-yl)hexanal
CID 169157761
[2-methyl-1-(4-pyridin-4-ylsulfinylbutyl)indol-3-yl]-phenylmethanone
CID 70527709
2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine
CID 141082451
2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine
CID 141082506
2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320512
2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine
CID 141082277
2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine
CID 141082369
2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine
CID 141082406

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine (CID 141082510) is 1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine is Cc1cncc2nc(C)n(CCCCCS(=O)c3ccccc3)c12.
What is the InChIKey of 1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine?
The InChIKey is BMWLBHSUCZKXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-15-13-20-14-18-19(15)22(16(2)21-18)11-7-4-8-12-24(23)17-9-5-3-6-10-17/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine?
1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine has a molecular weight of 341.48 g/mol, XLogP of 4.03, 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]-2,7-dimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).