4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine

C21H26F4N4 — CID 89442702

IUPAC4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESFc1cc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C21H26F4N4/c22-18-13-16(3-4-17(18)21(23,24)25)19-14-29(12-11-28-9-1-2-10-28)20(27-19)15-5-7-26-8-6-15/h3-4,13-15,26H,1-2,5-12H2
InChIKeyIUNQNPKBQBDTSE-UHFFFAOYSA-N
MW410.46 g/mol
LogP4.27
Rot. Bonds5

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

4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (PubChem CID 89442702) has the molecular formula C21H26F4N4 and a molecular weight of 410.46 g/mol. Its IUPAC name is 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
PubChem CID89442702
Molecular FormulaC21H26F4N4
Molecular Weight410.46 g/mol
Exact Mass410.21
IUPAC Name4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESFc1cc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C21H26F4N4/c22-18-13-16(3-4-17(18)21(23,24)25)19-14-29(12-11-28-9-1-2-10-28)20(27-19)15-5-7-26-8-6-15/h3-4,13-15,26H,1-2,5-12H2
InChIKeyIUNQNPKBQBDTSE-UHFFFAOYSA-N
XLogP4.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (CID 89442702) is 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is Fc1cc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)ccc1C(F)(F)F.
What is the InChIKey of 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The InChIKey is IUNQNPKBQBDTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F4N4/c22-18-13-16(3-4-17(18)21(23,24)25)19-14-29(12-11-28-9-1-2-10-28)20(27-19)15-5-7-26-8-6-15/h3-4,13-15,26H,1-2,5-12H2.
What are the key properties of 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine has a molecular weight of 410.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 89442702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).