4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine

C20H27FN4 — CID 89442697

IUPAC4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESFc1cccc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)c1
InChIInChI=1S/C20H27FN4/c21-18-5-3-4-17(14-18)19-15-25(13-12-24-10-1-2-11-24)20(23-19)16-6-8-22-9-7-16/h3-5,14-16,22H,1-2,6-13H2
InChIKeyLFGHVDSUXPUYJE-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.25
Rot. Bonds5

About 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine

4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (PubChem CID 89442697) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
PubChem CID89442697
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
SMILESFc1cccc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)c1
InChIInChI=1S/C20H27FN4/c21-18-5-3-4-17(14-18)19-15-25(13-12-24-10-1-2-11-24)20(23-19)16-6-8-22-9-7-16/h3-5,14-16,22H,1-2,6-13H2
InChIKeyLFGHVDSUXPUYJE-UHFFFAOYSA-N
XLogP3.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine (CID 89442697) is 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is Fc1cccc(-c2cn(CCN3CCCC3)c(C3CCNCC3)n2)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
The InChIKey is LFGHVDSUXPUYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4/c21-18-5-3-4-17(14-18)19-15-25(13-12-24-10-1-2-11-24)20(23-19)16-6-8-22-9-7-16/h3-5,14-16,22H,1-2,6-13H2.
What are the key properties of 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine?
4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine has a molecular weight of 342.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 89442697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).