5-(difluoromethoxy)-1-sulfanylbenzimidazole

C8H6F2N2OS — CID 69261617

IUPAC5-(difluoromethoxy)-1-sulfanylbenzimidazole
SMILESFC(F)Oc1ccc2c(c1)ncn2S
InChIInChI=1S/C8H6F2N2OS/c9-8(10)13-5-1-2-7-6(3-5)11-4-12(7)14/h1-4,8,14H
InChIKeyHDZPPALEASEGIA-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.33
Rot. Bonds2

About 5-(difluoromethoxy)-1-sulfanylbenzimidazole

5-(difluoromethoxy)-1-sulfanylbenzimidazole (PubChem CID 69261617) has the molecular formula C8H6F2N2OS and a molecular weight of 216.21 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-sulfanylbenzimidazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-sulfanylbenzimidazole
PubChem CID69261617
Molecular FormulaC8H6F2N2OS
Molecular Weight216.21 g/mol
Exact Mass216.02
IUPAC Name5-(difluoromethoxy)-1-sulfanylbenzimidazole
SMILESFC(F)Oc1ccc2c(c1)ncn2S
InChIInChI=1S/C8H6F2N2OS/c9-8(10)13-5-1-2-7-6(3-5)11-4-12(7)14/h1-4,8,14H
InChIKeyHDZPPALEASEGIA-UHFFFAOYSA-N
XLogP2.33
TPSA27.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-sulfanylbenzimidazole?
The IUPAC name of 5-(difluoromethoxy)-1-sulfanylbenzimidazole (CID 69261617) is 5-(difluoromethoxy)-1-sulfanylbenzimidazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-sulfanylbenzimidazole?
The canonical SMILES for 5-(difluoromethoxy)-1-sulfanylbenzimidazole is FC(F)Oc1ccc2c(c1)ncn2S.
What is the InChIKey of 5-(difluoromethoxy)-1-sulfanylbenzimidazole?
The InChIKey is HDZPPALEASEGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2OS/c9-8(10)13-5-1-2-7-6(3-5)11-4-12(7)14/h1-4,8,14H.
What are the key properties of 5-(difluoromethoxy)-1-sulfanylbenzimidazole?
5-(difluoromethoxy)-1-sulfanylbenzimidazole has a molecular weight of 216.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-sulfanylbenzimidazole is sourced from PubChem (CID 69261617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).