2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine

C14H13N3O2S — CID 13450844

IUPAC2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(-c2nc3ccncc3[nH]2)c(S(C)=O)c1
InChIInChI=1S/C14H13N3O2S/c1-19-9-3-4-10(13(7-9)20(2)18)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)
InChIKeyXCCSHEWQVWCIIC-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine

2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 13450844) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID13450844
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(-c2nc3ccncc3[nH]2)c(S(C)=O)c1
InChIInChI=1S/C14H13N3O2S/c1-19-9-3-4-10(13(7-9)20(2)18)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)
InChIKeyXCCSHEWQVWCIIC-UHFFFAOYSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine (CID 13450844) is 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine is COc1ccc(-c2nc3ccncc3[nH]2)c(S(C)=O)c1.
What is the InChIKey of 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is XCCSHEWQVWCIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-9-3-4-10(13(7-9)20(2)18)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine?
2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 287.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 13450844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).