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

C8H6F2N2OS — CID 5064774

IUPAC5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
SMILESFC(F)Oc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)
InChIKeyHJMVPNAZPFZXCP-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.83
Rot. Bonds2

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

5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione (PubChem CID 5064774) has the molecular formula C8H6F2N2OS and a molecular weight of 216.21 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
PubChem CID5064774
Molecular FormulaC8H6F2N2OS
Molecular Weight216.21 g/mol
Exact Mass216.02
IUPAC Name5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
SMILESFC(F)Oc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)
InChIKeyHJMVPNAZPFZXCP-UHFFFAOYSA-N
XLogP2.83
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione (CID 5064774) is 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione is FC(F)Oc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is HJMVPNAZPFZXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14).
What are the key properties of 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione?
5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 216.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 5064774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).