4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine

C22H23F3N4O — CID 10621826

IUPAC4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
SMILESFC(F)(F)c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)19-4-2-17(3-5-19)20-21(18-6-8-26-9-7-18)29(16-27-20)11-1-10-28-12-14-30-15-13-28/h2-9,16H,1,10-15H2
InChIKeyORVUVFSUEKHWKP-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.35
Rot. Bonds6

About 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine

4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine (PubChem CID 10621826) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
PubChem CID10621826
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
SMILESFC(F)(F)c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)19-4-2-17(3-5-19)20-21(18-6-8-26-9-7-18)29(16-27-20)11-1-10-28-12-14-30-15-13-28/h2-9,16H,1,10-15H2
InChIKeyORVUVFSUEKHWKP-UHFFFAOYSA-N
XLogP4.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine (CID 10621826) is 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine is FC(F)(F)c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine?
The InChIKey is ORVUVFSUEKHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c23-22(24,25)19-4-2-17(3-5-19)20-21(18-6-8-26-9-7-18)29(16-27-20)11-1-10-28-12-14-30-15-13-28/h2-9,16H,1,10-15H2.
What are the key properties of 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine?
4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine has a molecular weight of 416.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 10621826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).