2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone

C16H12F2N2O2S — CID 678287

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N2O2S/c17-15(18)22-11-7-5-10(6-8-11)14(21)9-23-16-19-12-3-1-2-4-13(12)20-16/h1-8,15H,9H2,(H,19,20)
InChIKeyJHSDFAZGCITDLN-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.14
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone (PubChem CID 678287) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone
PubChem CID678287
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N2O2S/c17-15(18)22-11-7-5-10(6-8-11)14(21)9-23-16-19-12-3-1-2-4-13(12)20-16/h1-8,15H,9H2,(H,19,20)
InChIKeyJHSDFAZGCITDLN-UHFFFAOYSA-N
XLogP4.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone (CID 678287) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone is O=C(CSc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone?
The InChIKey is JHSDFAZGCITDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c17-15(18)22-11-7-5-10(6-8-11)14(21)9-23-16-19-12-3-1-2-4-13(12)20-16/h1-8,15H,9H2,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone has a molecular weight of 334.35 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 678287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).