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

C21H14F3N3O4 — CID 46228556

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O4/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)
InChIKeyLGWOEEPFXDCEFZ-UHFFFAOYSA-N
MW429.35 g/mol
LogP4.80
Rot. Bonds5

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

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 46228556) has the molecular formula C21H14F3N3O4 and a molecular weight of 429.35 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID46228556
Molecular FormulaC21H14F3N3O4
Molecular Weight429.35 g/mol
Exact Mass429.09
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O4/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)
InChIKeyLGWOEEPFXDCEFZ-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 N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (CID 46228556) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is LGWOEEPFXDCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4/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-(trifluoromethoxy)benzamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)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 N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46228556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).