2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone

C19H15F3N2O3 — CID 118723946

IUPAC2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
SMILESO=C(Cn1ccnc1)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-5-1-14(2-6-17)12-26-16-7-3-15(4-8-16)18(25)11-24-10-9-23-13-24/h1-10,13H,11-12H2
InChIKeyXGCWOEMEEDZFNM-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.24
Rot. Bonds7

About 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone

2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone (PubChem CID 118723946) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
PubChem CID118723946
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
SMILESO=C(Cn1ccnc1)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-5-1-14(2-6-17)12-26-16-7-3-15(4-8-16)18(25)11-24-10-9-23-13-24/h1-10,13H,11-12H2
InChIKeyXGCWOEMEEDZFNM-UHFFFAOYSA-N
XLogP4.24
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone (CID 118723946) is 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone is O=C(Cn1ccnc1)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone?
The InChIKey is XGCWOEMEEDZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-5-1-14(2-6-17)12-26-16-7-3-15(4-8-16)18(25)11-24-10-9-23-13-24/h1-10,13H,11-12H2.
What are the key properties of 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone?
2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone has a molecular weight of 376.33 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 118723946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).