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

C22H23F3N4O — CID 22129191

IUPAC4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
SMILESFC(F)(F)c1cccc(-c2ncc(-c3ccncc3)n2CCCN2CCOCC2)c1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)19-4-1-3-18(15-19)21-27-16-20(17-5-7-26-8-6-17)29(21)10-2-9-28-11-13-30-14-12-28/h1,3-8,15-16H,2,9-14H2
InChIKeyAKKKGCNVUINJEW-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.35
Rot. Bonds6

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

4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine (PubChem CID 22129191) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
PubChem CID22129191
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine
SMILESFC(F)(F)c1cccc(-c2ncc(-c3ccncc3)n2CCCN2CCOCC2)c1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)19-4-1-3-18(15-19)21-27-16-20(17-5-7-26-8-6-17)29(21)10-2-9-28-11-13-30-14-12-28/h1,3-8,15-16H,2,9-14H2
InChIKeyAKKKGCNVUINJEW-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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Related Compounds

N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473906
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
4-(3-morpholin-4-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 52945849
3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
CID 17195962
1-[4-[2-(3-morpholin-4-ylpropyl)pyrimidin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 148671648
7-(2-morpholin-4-ylethyl)-3-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CID 3894446
1-N-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-1-N'-[3-(trifluoromethyl)phenyl]ethene-1,1-diamine
CID 89264866
N-[3-(2-methylpyrazol-3-yl)-4-(3-morpholin-4-ylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 66928026
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 24829522
2-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-[3-(trifluoromethyl)phenoxy]-1,3-benzoxazole
CID 72946732
2-pyridin-4-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910762

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine (CID 22129191) is 4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine is FC(F)(F)c1cccc(-c2ncc(-c3ccncc3)n2CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine?
The InChIKey is AKKKGCNVUINJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c23-22(24,25)19-4-1-3-18(15-19)21-27-16-20(17-5-7-26-8-6-17)29(21)10-2-9-28-11-13-30-14-12-28/h1,3-8,15-16H,2,9-14H2.
What are the key properties of 4-[3-[5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine?
4-[3-[5-pyridin-4-yl-2-[3-(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-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 22129191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).