1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione

C13H11N3S — CID 749883

IUPAC1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnccc2n1Cc1ccccc1
InChIInChI=1S/C13H11N3S/c17-13-15-11-8-14-7-6-12(11)16(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,17)
InChIKeyKEHZLSFDKMWFHH-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.14
Rot. Bonds2

About 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione

1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 749883) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID749883
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnccc2n1Cc1ccccc1
InChIInChI=1S/C13H11N3S/c17-13-15-11-8-14-7-6-12(11)16(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,17)
InChIKeyKEHZLSFDKMWFHH-UHFFFAOYSA-N
XLogP3.14
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione (CID 749883) is 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione is S=c1[nH]c2cnccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is KEHZLSFDKMWFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c17-13-15-11-8-14-7-6-12(11)16(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,17).
What are the key properties of 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione?
1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 241.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 749883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).