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

C21H14F3N3O4 — CID 46228769

IUPAC3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1
InChIInChI=1S/C21H14F3N3O4/c22-21(23,24)31-15-7-2-5-13(11-15)25-19(28)12-4-1-6-14(10-12)30-17-9-3-8-16-18(17)27-20(29)26-16/h1-11H,(H,25,28)(H2,26,27,29)
InChIKeyIRSILNGEBKNWQJ-UHFFFAOYSA-N
MW429.35 g/mol
LogP4.80
Rot. Bonds5

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

3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 46228769) has the molecular formula C21H14F3N3O4 and a molecular weight of 429.35 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID46228769
Molecular FormulaC21H14F3N3O4
Molecular Weight429.35 g/mol
Exact Mass429.09
IUPAC Name3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1
InChIInChI=1S/C21H14F3N3O4/c22-21(23,24)31-15-7-2-5-13(11-15)25-19(28)12-4-1-6-14(10-12)30-17-9-3-8-16-18(17)27-20(29)26-16/h1-11H,(H,25,28)(H2,26,27,29)
InChIKeyIRSILNGEBKNWQJ-UHFFFAOYSA-N
XLogP4.80
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 46228769) is 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(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-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is IRSILNGEBKNWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4/c22-21(23,24)31-15-7-2-5-13(11-15)25-19(28)12-4-1-6-14(10-12)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 3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide?
3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 429.35 g/mol, XLogP of 4.80, 5 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-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 46228769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).