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

C22H22F3N3O — CID 53322600

IUPAC2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine
SMILESCC1CN(Cc2ccccc2-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CCO1
InChIInChI=1S/C22H22F3N3O/c1-15-13-28(9-10-29-15)14-17-5-2-3-8-19(17)21-26-12-20(27-21)16-6-4-7-18(11-16)22(23,24)25/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,26,27)
InChIKeyOHDGLYGQXSEPBY-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.98
Rot. Bonds4

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

2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine (PubChem CID 53322600) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine
PubChem CID53322600
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine
SMILESCC1CN(Cc2ccccc2-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CCO1
InChIInChI=1S/C22H22F3N3O/c1-15-13-28(9-10-29-15)14-17-5-2-3-8-19(17)21-26-12-20(27-21)16-6-4-7-18(11-16)22(23,24)25/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,26,27)
InChIKeyOHDGLYGQXSEPBY-UHFFFAOYSA-N
XLogP4.98
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine (CID 53322600) is 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine is CC1CN(Cc2ccccc2-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CCO1.
What is the InChIKey of 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The InChIKey is OHDGLYGQXSEPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c1-15-13-28(9-10-29-15)14-17-5-2-3-8-19(17)21-26-12-20(27-21)16-6-4-7-18(11-16)22(23,24)25/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,26,27).
What are the key properties of 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine?
2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine has a molecular weight of 401.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 53322600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).