4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine

C20H25F3N4O — CID 89442875

IUPAC4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine
SMILESFC(F)(F)Oc1cccc(-c2cn(CCN3CCC3)c(C3CCNCC3)n2)c1
InChIInChI=1S/C20H25F3N4O/c21-20(22,23)28-17-4-1-3-16(13-17)18-14-27(12-11-26-9-2-10-26)19(25-18)15-5-7-24-8-6-15/h1,3-4,13-15,24H,2,5-12H2
InChIKeyXFMUVTXBRKLRHN-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.62
Rot. Bonds6

About 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine

4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine (PubChem CID 89442875) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine
PubChem CID89442875
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine
SMILESFC(F)(F)Oc1cccc(-c2cn(CCN3CCC3)c(C3CCNCC3)n2)c1
InChIInChI=1S/C20H25F3N4O/c21-20(22,23)28-17-4-1-3-16(13-17)18-14-27(12-11-26-9-2-10-26)19(25-18)15-5-7-24-8-6-15/h1,3-4,13-15,24H,2,5-12H2
InChIKeyXFMUVTXBRKLRHN-UHFFFAOYSA-N
XLogP3.62
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 89442697
4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 67264904
4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine
CID 141442791
4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine
CID 89442750
4-[1-[2-(azetidin-1-yl)ethyl]-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-4-yl]-2-(trifluoromethyl)pyridine
CID 90454194
5-bromo-6-[4-[1-(2-pyrrolidin-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450290
4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine
CID 141413246
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 89442552
N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine;dihydrochloride
CID 118290309
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-cyclobutylpyrimidin-4-amine
CID 164628705
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255714
5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255758

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine?
The IUPAC name of 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine (CID 89442875) is 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine is FC(F)(F)Oc1cccc(-c2cn(CCN3CCC3)c(C3CCNCC3)n2)c1.
What is the InChIKey of 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine?
The InChIKey is XFMUVTXBRKLRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c21-20(22,23)28-17-4-1-3-16(13-17)18-14-27(12-11-26-9-2-10-26)19(25-18)15-5-7-24-8-6-15/h1,3-4,13-15,24H,2,5-12H2.
What are the key properties of 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine?
4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine has a molecular weight of 394.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine is sourced from PubChem (CID 89442875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).