2-(difluoromethylsulfanyl)-1H-benzimidazole

C8H6F2N2S — CID 937216

IUPAC2-(difluoromethylsulfanyl)-1H-benzimidazole
SMILESFC(F)Sc1nc2ccccc2[nH]1
InChIInChI=1S/C8H6F2N2S/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKeyGUCODYJAVBMOPG-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.88
Rot. Bonds2

About 2-(difluoromethylsulfanyl)-1H-benzimidazole

2-(difluoromethylsulfanyl)-1H-benzimidazole (PubChem CID 937216) has the molecular formula C8H6F2N2S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-1H-benzimidazole
PubChem CID937216
Molecular FormulaC8H6F2N2S
Molecular Weight200.21 g/mol
Exact Mass200.02
IUPAC Name2-(difluoromethylsulfanyl)-1H-benzimidazole
SMILESFC(F)Sc1nc2ccccc2[nH]1
InChIInChI=1S/C8H6F2N2S/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKeyGUCODYJAVBMOPG-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 2-(difluoromethylsulfanyl)-1H-benzimidazole (CID 937216) is 2-(difluoromethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 2-(difluoromethylsulfanyl)-1H-benzimidazole is FC(F)Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-1H-benzimidazole?
The InChIKey is GUCODYJAVBMOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2S/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12).
What are the key properties of 2-(difluoromethylsulfanyl)-1H-benzimidazole?
2-(difluoromethylsulfanyl)-1H-benzimidazole has a molecular weight of 200.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 937216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).