2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine

C12H11N3S — CID 67896478

IUPAC2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1csc(C)c1-c1nc2ccncc2[nH]1
InChIInChI=1S/C12H11N3S/c1-7-6-16-8(2)11(7)12-14-9-3-4-13-5-10(9)15-12/h3-6H,1-2H3,(H,14,15)
InChIKeyCUAXOZPLKVBDAX-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.30
Rot. Bonds1

About 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine

2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 67896478) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID67896478
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1csc(C)c1-c1nc2ccncc2[nH]1
InChIInChI=1S/C12H11N3S/c1-7-6-16-8(2)11(7)12-14-9-3-4-13-5-10(9)15-12/h3-6H,1-2H3,(H,14,15)
InChIKeyCUAXOZPLKVBDAX-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine (CID 67896478) is 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine is Cc1csc(C)c1-c1nc2ccncc2[nH]1.
What is the InChIKey of 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is CUAXOZPLKVBDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-7-6-16-8(2)11(7)12-14-9-3-4-13-5-10(9)15-12/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 229.31 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 67896478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).