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

C22H15F4N3O4 — CID 46228797

IUPAC3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1
InChIInChI=1S/C22H15F4N3O4/c23-20(24)22(25,26)33-15-7-2-5-13(11-15)27-19(30)12-4-1-6-14(10-12)32-17-9-3-8-16-18(17)29-21(31)28-16/h1-11,20H,(H,27,30)(H2,28,29,31)
InChIKeyRLWJKGWLCKCVAR-UHFFFAOYSA-N
MW461.37 g/mol
LogP5.14
Rot. Bonds7

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

3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide (PubChem CID 46228797) has the molecular formula C22H15F4N3O4 and a molecular weight of 461.37 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
PubChem CID46228797
Molecular FormulaC22H15F4N3O4
Molecular Weight461.37 g/mol
Exact Mass461.10
IUPAC Name3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1
InChIInChI=1S/C22H15F4N3O4/c23-20(24)22(25,26)33-15-7-2-5-13(11-15)27-19(30)12-4-1-6-14(10-12)32-17-9-3-8-16-18(17)29-21(31)28-16/h1-11,20H,(H,27,30)(H2,28,29,31)
InChIKeyRLWJKGWLCKCVAR-UHFFFAOYSA-N
XLogP5.14
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide?
The IUPAC name of 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide (CID 46228797) is 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide?
The canonical SMILES for 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1.
What is the InChIKey of 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide?
The InChIKey is RLWJKGWLCKCVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N3O4/c23-20(24)22(25,26)33-15-7-2-5-13(11-15)27-19(30)12-4-1-6-14(10-12)32-17-9-3-8-16-18(17)29-21(31)28-16/h1-11,20H,(H,27,30)(H2,28,29,31).
What are the key properties of 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide?
3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide has a molecular weight of 461.37 g/mol, XLogP of 5.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 46228797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).