2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

C17H13N3OS — CID 23025793

IUPAC2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(OCc2nc3ncc(-c4cccs4)cc3[nH]2)cc1
InChIInChI=1S/C17H13N3OS/c1-2-5-13(6-3-1)21-11-16-19-14-9-12(10-18-17(14)20-16)15-7-4-8-22-15/h1-10H,11H2,(H,18,19,20)
InChIKeyVNODMTYMZKDPGU-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.27
Rot. Bonds4

About 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 23025793) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID23025793
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(OCc2nc3ncc(-c4cccs4)cc3[nH]2)cc1
InChIInChI=1S/C17H13N3OS/c1-2-5-13(6-3-1)21-11-16-19-14-9-12(10-18-17(14)20-16)15-7-4-8-22-15/h1-10H,11H2,(H,18,19,20)
InChIKeyVNODMTYMZKDPGU-UHFFFAOYSA-N
XLogP4.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (CID 23025793) is 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is c1ccc(OCc2nc3ncc(-c4cccs4)cc3[nH]2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is VNODMTYMZKDPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-2-5-13(6-3-1)21-11-16-19-14-9-12(10-18-17(14)20-16)15-7-4-8-22-15/h1-10H,11H2,(H,18,19,20).
What are the key properties of 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 307.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).