1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione

C14H12N2S — CID 24966439

IUPAC1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESS=c1[nH]c(Cc2ccccc2)c2ccccn12
InChIInChI=1S/C14H12N2S/c17-14-15-12(10-11-6-2-1-3-7-11)13-8-4-5-9-16(13)14/h1-9H,10H2,(H,15,17)
InChIKeyGCSNWJVHBGHMFH-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.59
Rot. Bonds2

About 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione

1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 24966439) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID24966439
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione
SMILESS=c1[nH]c(Cc2ccccc2)c2ccccn12
InChIInChI=1S/C14H12N2S/c17-14-15-12(10-11-6-2-1-3-7-11)13-8-4-5-9-16(13)14/h1-9H,10H2,(H,15,17)
InChIKeyGCSNWJVHBGHMFH-UHFFFAOYSA-N
XLogP3.59
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione (CID 24966439) is 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione is S=c1[nH]c(Cc2ccccc2)c2ccccn12.
What is the InChIKey of 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is GCSNWJVHBGHMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c17-14-15-12(10-11-6-2-1-3-7-11)13-8-4-5-9-16(13)14/h1-9H,10H2,(H,15,17).
What are the key properties of 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione?
1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 240.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 24966439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).