4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine

C20H23F5N4 — CID 89442750

IUPAC4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine
SMILESFc1ccc(-c2cn(CCN3CC(F)C3)c(C3CCNCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C20H23F5N4/c21-15-10-28(11-15)7-8-29-12-18(27-19(29)13-3-5-26-6-4-13)14-1-2-17(22)16(9-14)20(23,24)25/h1-2,9,12-13,15,26H,3-8,10-11H2
InChIKeyIYPCJMLLXYHYOO-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.83
Rot. Bonds5

About 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine

4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine (PubChem CID 89442750) has the molecular formula C20H23F5N4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine
PubChem CID89442750
Molecular FormulaC20H23F5N4
Molecular Weight414.42 g/mol
Exact Mass414.18
IUPAC Name4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine
SMILESFc1ccc(-c2cn(CCN3CC(F)C3)c(C3CCNCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C20H23F5N4/c21-15-10-28(11-15)7-8-29-12-18(27-19(29)13-3-5-26-6-4-13)14-1-2-17(22)16(9-14)20(23,24)25/h1-2,9,12-13,15,26H,3-8,10-11H2
InChIKeyIYPCJMLLXYHYOO-UHFFFAOYSA-N
XLogP3.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine?
The IUPAC name of 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine (CID 89442750) is 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine is Fc1ccc(-c2cn(CCN3CC(F)C3)c(C3CCNCC3)n2)cc1C(F)(F)F.
What is the InChIKey of 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine?
The InChIKey is IYPCJMLLXYHYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F5N4/c21-15-10-28(11-15)7-8-29-12-18(27-19(29)13-3-5-26-6-4-13)14-1-2-17(22)16(9-14)20(23,24)25/h1-2,9,12-13,15,26H,3-8,10-11H2.
What are the key properties of 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine?
4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine has a molecular weight of 414.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine is sourced from PubChem (CID 89442750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).