N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide

C21H14F3N3O3S — CID 46228620

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O3S/c22-21(23,24)31-15-7-1-4-12(10-15)19(28)25-13-5-2-6-14(11-13)30-17-9-3-8-16-18(17)27-20(29)26-16/h1-11H,(H,25,28)(H2,26,27,29)
InChIKeyFOEHPRUQMPZGMN-UHFFFAOYSA-N
MW445.42 g/mol
LogP5.51
Rot. Bonds5

About N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide (PubChem CID 46228620) has the molecular formula C21H14F3N3O3S and a molecular weight of 445.42 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide
PubChem CID46228620
Molecular FormulaC21H14F3N3O3S
Molecular Weight445.42 g/mol
Exact Mass445.07
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O3S/c22-21(23,24)31-15-7-1-4-12(10-15)19(28)25-13-5-2-6-14(11-13)30-17-9-3-8-16-18(17)27-20(29)26-16/h1-11H,(H,25,28)(H2,26,27,29)
InChIKeyFOEHPRUQMPZGMN-UHFFFAOYSA-N
XLogP5.51
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.42
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3,4-trifluoro-5-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)-3-(trifluoromethoxy)benzamide
CID 46228951
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 46228556
4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 46228589
2-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 46228590
2-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-5-(trifluoromethoxy)benzamide
CID 46228617
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 46228619
3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
CID 46228640
3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
CID 46228641
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide
CID 46228664
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide
CID 46228665
3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 46228769
3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
CID 46228797

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide (CID 46228620) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(SC(F)(F)F)c1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide?
The InChIKey is FOEHPRUQMPZGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O3S/c22-21(23,24)31-15-7-1-4-12(10-15)19(28)25-13-5-2-6-14(11-13)30-17-9-3-8-16-18(17)27-20(29)26-16/h1-11H,(H,25,28)(H2,26,27,29).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide has a molecular weight of 445.42 g/mol, XLogP of 5.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 46228620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).