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

C20H19F3N4O — CID 56775880

IUPAC(3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine
SMILESFC(F)(F)c1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccn3)[nH]2)cc1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)15-6-4-14(5-7-15)17-11-25-19(26-17)18-13-28-10-9-27(18)12-16-3-1-2-8-24-16/h1-8,11,18H,9-10,12-13H2,(H,25,26)/t18-/m0/s1
InChIKeyRMDRSVDDVCWUIO-SFHVURJKSA-N
MW388.39 g/mol
LogP4.06
Rot. Bonds4

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

(3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine (PubChem CID 56775880) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine
PubChem CID56775880
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name(3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine
SMILESFC(F)(F)c1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccn3)[nH]2)cc1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)15-6-4-14(5-7-15)17-11-25-19(26-17)18-13-28-10-9-27(18)12-16-3-1-2-8-24-16/h1-8,11,18H,9-10,12-13H2,(H,25,26)/t18-/m0/s1
InChIKeyRMDRSVDDVCWUIO-SFHVURJKSA-N
XLogP4.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine (CID 56775880) is (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine is FC(F)(F)c1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccn3)[nH]2)cc1.
What is the InChIKey of (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine?
The InChIKey is RMDRSVDDVCWUIO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)15-6-4-14(5-7-15)17-11-25-19(26-17)18-13-28-10-9-27(18)12-16-3-1-2-8-24-16/h1-8,11,18H,9-10,12-13H2,(H,25,26)/t18-/m0/s1.
What are the key properties of (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine?
(3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine has a molecular weight of 388.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(pyridin-2-ylmethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 56775880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).