2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine

C16H17N3OS — CID 13450837

IUPAC2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCCCOc1cc(SC)ccc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C16H17N3OS/c1-3-8-20-15-9-11(21-2)4-5-12(15)16-18-13-6-7-17-10-14(13)19-16/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyKWDCJYKAFCWWMI-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine

2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 13450837) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID13450837
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCCCOc1cc(SC)ccc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C16H17N3OS/c1-3-8-20-15-9-11(21-2)4-5-12(15)16-18-13-6-7-17-10-14(13)19-16/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyKWDCJYKAFCWWMI-UHFFFAOYSA-N
XLogP4.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine (CID 13450837) is 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine is CCCOc1cc(SC)ccc1-c1nc2ccncc2[nH]1.
What is the InChIKey of 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is KWDCJYKAFCWWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-8-20-15-9-11(21-2)4-5-12(15)16-18-13-6-7-17-10-14(13)19-16/h4-7,9-10H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine?
2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 299.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 13450837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).