4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine

C21H17F6N3O2 — CID 89191299

IUPAC4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)Oc1ccccc1C1=NCC(c2ccc(N3CCOCC3)c(C(F)(F)F)c2)=N1
InChIInChI=1S/C21H17F6N3O2/c22-20(23,24)15-11-13(5-6-17(15)30-7-9-31-10-8-30)16-12-28-19(29-16)14-3-1-2-4-18(14)32-21(25,26)27/h1-6,11H,7-10,12H2
InChIKeyATIWGSURTRQNRB-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.69
Rot. Bonds4

About 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine

4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine (PubChem CID 89191299) has the molecular formula C21H17F6N3O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine
PubChem CID89191299
Molecular FormulaC21H17F6N3O2
Molecular Weight457.37 g/mol
Exact Mass457.12
IUPAC Name4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)Oc1ccccc1C1=NCC(c2ccc(N3CCOCC3)c(C(F)(F)F)c2)=N1
InChIInChI=1S/C21H17F6N3O2/c22-20(23,24)15-11-13(5-6-17(15)30-7-9-31-10-8-30)16-12-28-19(29-16)14-3-1-2-4-18(14)32-21(25,26)27/h1-6,11H,7-10,12H2
InChIKeyATIWGSURTRQNRB-UHFFFAOYSA-N
XLogP4.69
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine (CID 89191299) is 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine is FC(F)(F)Oc1ccccc1C1=NCC(c2ccc(N3CCOCC3)c(C(F)(F)F)c2)=N1.
What is the InChIKey of 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine?
The InChIKey is ATIWGSURTRQNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F6N3O2/c22-20(23,24)15-11-13(5-6-17(15)30-7-9-31-10-8-30)16-12-28-19(29-16)14-3-1-2-4-18(14)32-21(25,26)27/h1-6,11H,7-10,12H2.
What are the key properties of 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine?
4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine has a molecular weight of 457.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 89191299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).