4-hydroxy-1,3-dihydrobenzimidazole-2-thione

C7H6N2OS — CID 18967025

IUPAC4-hydroxy-1,3-dihydrobenzimidazole-2-thione
SMILESOc1cccc2[nH]c(=S)[nH]c12
InChIInChI=1S/C7H6N2OS/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H,(H2,8,9,11)
InChIKeyKOBTUCRWSZGEKO-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.93
Rot. Bonds

About 4-hydroxy-1,3-dihydrobenzimidazole-2-thione

4-hydroxy-1,3-dihydrobenzimidazole-2-thione (PubChem CID 18967025) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-hydroxy-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-1,3-dihydrobenzimidazole-2-thione
PubChem CID18967025
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name4-hydroxy-1,3-dihydrobenzimidazole-2-thione
SMILESOc1cccc2[nH]c(=S)[nH]c12
InChIInChI=1S/C7H6N2OS/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H,(H2,8,9,11)
InChIKeyKOBTUCRWSZGEKO-UHFFFAOYSA-N
XLogP1.93
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1,3-dihydrobenzimidazole-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 4-hydroxy-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 4-hydroxy-1,3-dihydrobenzimidazole-2-thione (CID 18967025) is 4-hydroxy-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 4-hydroxy-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 4-hydroxy-1,3-dihydrobenzimidazole-2-thione is Oc1cccc2[nH]c(=S)[nH]c12.
What is the InChIKey of 4-hydroxy-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is KOBTUCRWSZGEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-5-3-1-2-4-6(5)9-7(11)8-4/h1-3,10H,(H2,8,9,11).
What are the key properties of 4-hydroxy-1,3-dihydrobenzimidazole-2-thione?
4-hydroxy-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 166.20 g/mol, XLogP of 1.93, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 18967025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).