benzimidazole-2-thione

C7H4N2S — CID 22479291

IUPACbenzimidazole-2-thione
SMILESS=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H
InChIKeyFHXXWAWFWPVOAX-UHFFFAOYSA-N
MW148.19 g/mol
LogP0.22
Rot. Bonds

About benzimidazole-2-thione

benzimidazole-2-thione (PubChem CID 22479291) has the molecular formula C7H4N2S and a molecular weight of 148.19 g/mol. Its IUPAC name is benzimidazole-2-thione.

Molecular Properties

Compound Namebenzimidazole-2-thione
PubChem CID22479291
Molecular FormulaC7H4N2S
Molecular Weight148.19 g/mol
Exact Mass148.01
IUPAC Namebenzimidazole-2-thione
SMILESS=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H
InChIKeyFHXXWAWFWPVOAX-UHFFFAOYSA-N
XLogP0.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzimidazole-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 benzimidazole-2-thione?
The IUPAC name of benzimidazole-2-thione (CID 22479291) is benzimidazole-2-thione.
What is the SMILES notation for benzimidazole-2-thione?
The canonical SMILES for benzimidazole-2-thione is S=C1N=c2ccccc2=N1.
What is the InChIKey of benzimidazole-2-thione?
The InChIKey is FHXXWAWFWPVOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H.
What are the key properties of benzimidazole-2-thione?
benzimidazole-2-thione has a molecular weight of 148.19 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazole-2-thione is sourced from PubChem (CID 22479291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).