5-ethoxy-1,3-dihydrobenzimidazole-2-thione

C9H10N2OS — CID 790793

IUPAC5-ethoxy-1,3-dihydrobenzimidazole-2-thione
SMILESCCOc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)
InChIKeyWUSCBOFBIYZVCQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.62
Rot. Bonds2

About 5-ethoxy-1,3-dihydrobenzimidazole-2-thione

5-ethoxy-1,3-dihydrobenzimidazole-2-thione (PubChem CID 790793) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-ethoxy-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-ethoxy-1,3-dihydrobenzimidazole-2-thione
PubChem CID790793
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name5-ethoxy-1,3-dihydrobenzimidazole-2-thione
SMILESCCOc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)
InChIKeyWUSCBOFBIYZVCQ-UHFFFAOYSA-N
XLogP2.62
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethoxy-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 5-ethoxy-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-ethoxy-1,3-dihydrobenzimidazole-2-thione (CID 790793) is 5-ethoxy-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-ethoxy-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-ethoxy-1,3-dihydrobenzimidazole-2-thione is CCOc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-ethoxy-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is WUSCBOFBIYZVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13).
What are the key properties of 5-ethoxy-1,3-dihydrobenzimidazole-2-thione?
5-ethoxy-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 194.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 790793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).