5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione

C8H5F3N2OS — CID 15163469

IUPAC5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione
SMILESFc1cc2[nH]c(=S)[nH]c2cc1OC(F)F
InChIInChI=1S/C8H5F3N2OS/c9-3-1-4-5(13-8(15)12-4)2-6(3)14-7(10)11/h1-2,7H,(H2,12,13,15)
InChIKeyNUFWDNDRHPHQKU-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.97
Rot. Bonds2

About 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione

5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione (PubChem CID 15163469) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione
PubChem CID15163469
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione
SMILESFc1cc2[nH]c(=S)[nH]c2cc1OC(F)F
InChIInChI=1S/C8H5F3N2OS/c9-3-1-4-5(13-8(15)12-4)2-6(3)14-7(10)11/h1-2,7H,(H2,12,13,15)
InChIKeyNUFWDNDRHPHQKU-UHFFFAOYSA-N
XLogP2.97
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(difluoromethoxy)-6-fluoro-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-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione (CID 15163469) is 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione is Fc1cc2[nH]c(=S)[nH]c2cc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is NUFWDNDRHPHQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-3-1-4-5(13-8(15)12-4)2-6(3)14-7(10)11/h1-2,7H,(H2,12,13,15).
What are the key properties of 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione?
5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 234.20 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-6-fluoro-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 15163469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).