1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine

C23H26FN3O — CID 53317367

IUPAC1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine
SMILESCCOc1ccc(F)c(-c2cnc(-c3cccc(CN4CCCCC4)c3)[nH]2)c1
InChIInChI=1S/C23H26FN3O/c1-2-28-19-9-10-21(24)20(14-19)22-15-25-23(26-22)18-8-6-7-17(13-18)16-27-11-4-3-5-12-27/h6-10,13-15H,2-5,11-12,16H2,1H3,(H,25,26)
InChIKeyYANWTXKOZJQDSK-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.27
Rot. Bonds6

About 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine

1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine (PubChem CID 53317367) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine
PubChem CID53317367
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine
SMILESCCOc1ccc(F)c(-c2cnc(-c3cccc(CN4CCCCC4)c3)[nH]2)c1
InChIInChI=1S/C23H26FN3O/c1-2-28-19-9-10-21(24)20(14-19)22-15-25-23(26-22)18-8-6-7-17(13-18)16-27-11-4-3-5-12-27/h6-10,13-15H,2-5,11-12,16H2,1H3,(H,25,26)
InChIKeyYANWTXKOZJQDSK-UHFFFAOYSA-N
XLogP5.27
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The IUPAC name of 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine (CID 53317367) is 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The canonical SMILES for 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine is CCOc1ccc(F)c(-c2cnc(-c3cccc(CN4CCCCC4)c3)[nH]2)c1.
What is the InChIKey of 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The InChIKey is YANWTXKOZJQDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-2-28-19-9-10-21(24)20(14-19)22-15-25-23(26-22)18-8-6-7-17(13-18)16-27-11-4-3-5-12-27/h6-10,13-15H,2-5,11-12,16H2,1H3,(H,25,26).
What are the key properties of 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine?
1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine has a molecular weight of 379.48 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[5-(5-ethoxy-2-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine is sourced from PubChem (CID 53317367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).