2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C15H11F2N3O2S — CID 24624739

IUPAC2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1SC(F)F
InChIInChI=1S/C15H11F2N3O2S/c16-14(17)23-12-4-2-1-3-9(12)13(21)18-8-5-6-10-11(7-8)20-15(22)19-10/h1-7,14H,(H,18,21)(H2,19,20,22)
InChIKeyQLQRBTNLJVIFGR-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.42
Rot. Bonds4

About 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 24624739) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID24624739
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1SC(F)F
InChIInChI=1S/C15H11F2N3O2S/c16-14(17)23-12-4-2-1-3-9(12)13(21)18-8-5-6-10-11(7-8)20-15(22)19-10/h1-7,14H,(H,18,21)(H2,19,20,22)
InChIKeyQLQRBTNLJVIFGR-UHFFFAOYSA-N
XLogP3.42
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethylsulfanyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791220
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791205
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26698161
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134156557
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
2-methyl-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropanamide
CID 20603495

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 24624739) is 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is QLQRBTNLJVIFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c16-14(17)23-12-4-2-1-3-9(12)13(21)18-8-5-6-10-11(7-8)20-15(22)19-10/h1-7,14H,(H,18,21)(H2,19,20,22).
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 335.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 24624739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).