2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone

C15H10F2N2OS — CID 43218350

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1cc(F)ccc1F
InChIInChI=1S/C15H10F2N2OS/c16-9-5-6-11(17)10(7-9)14(20)8-21-15-18-12-3-1-2-4-13(12)19-15/h1-7H,8H2,(H,18,19)
InChIKeyLEYQOCDUSLDVFZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.82
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone (PubChem CID 43218350) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
PubChem CID43218350
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1cc(F)ccc1F
InChIInChI=1S/C15H10F2N2OS/c16-9-5-6-11(17)10(7-9)14(20)8-21-15-18-12-3-1-2-4-13(12)19-15/h1-7H,8H2,(H,18,19)
InChIKeyLEYQOCDUSLDVFZ-UHFFFAOYSA-N
XLogP3.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
CID 2436081
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
CID 853110
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
CID 43218263
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037856
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037855
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 747420
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
CID 2828877
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
CID 2335628
2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide
CID 5187301
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide
CID 22633522
2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505393
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 1383157

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone (CID 43218350) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1cc(F)ccc1F.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone?
The InChIKey is LEYQOCDUSLDVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-9-5-6-11(17)10(7-9)14(20)8-21-15-18-12-3-1-2-4-13(12)19-15/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone has a molecular weight of 304.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 43218350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).