4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine

C21H20F3N3O — CID 22969459

IUPAC4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(-c2cnc(-c3cccc(CN4CCOCC4)c3)[nH]2)c1
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
InChIKeyBCWJOAVBILROCY-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.59
Rot. Bonds4

About 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine

4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine (PubChem CID 22969459) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine
PubChem CID22969459
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(-c2cnc(-c3cccc(CN4CCOCC4)c3)[nH]2)c1
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26)
InChIKeyBCWJOAVBILROCY-UHFFFAOYSA-N
XLogP4.59
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine (CID 22969459) is 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine is FC(F)(F)c1cccc(-c2cnc(-c3cccc(CN4CCOCC4)c3)[nH]2)c1.
What is the InChIKey of 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The InChIKey is BCWJOAVBILROCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c22-21(23,24)18-6-2-4-16(12-18)19-13-25-20(26-19)17-5-1-3-15(11-17)14-27-7-9-28-10-8-27/h1-6,11-13H,7-10,14H2,(H,25,26).
What are the key properties of 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine?
4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine has a molecular weight of 387.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 22969459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).