2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

C14H13N3OS — CID 14956568

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C14H13N3OS/c1-18-11-6-4-10(5-7-11)9-19-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyDOQSEUFKJUXHSX-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.26
Rot. Bonds4

About 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 14956568) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
PubChem CID14956568
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C14H13N3OS/c1-18-11-6-4-10(5-7-11)9-19-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyDOQSEUFKJUXHSX-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Omeprazole sulfide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (CID 14956568) is 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is COc1ccc(CSc2nc3ncccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is DOQSEUFKJUXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-11-6-4-10(5-7-11)9-19-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17).
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 271.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 14956568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).