1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one

C26H28FN3O2 — CID 58722326

IUPAC1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCCCN1CCN(c2ccncc2)C1=O)Oc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FN3O2/c1-20(32-25-11-7-22(8-12-25)21-5-9-23(27)10-6-21)4-2-3-17-29-18-19-30(26(29)31)24-13-15-28-16-14-24/h5-16,20H,2-4,17-19H2,1H3
InChIKeySYNVOSLCCWGQOF-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.77
Rot. Bonds9

About 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one

1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 58722326) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID58722326
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCCCN1CCN(c2ccncc2)C1=O)Oc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FN3O2/c1-20(32-25-11-7-22(8-12-25)21-5-9-23(27)10-6-21)4-2-3-17-29-18-19-30(26(29)31)24-13-15-28-16-14-24/h5-16,20H,2-4,17-19H2,1H3
InChIKeySYNVOSLCCWGQOF-UHFFFAOYSA-N
XLogP5.77
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one (CID 58722326) is 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one is CC(CCCCN1CCN(c2ccncc2)C1=O)Oc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is SYNVOSLCCWGQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-20(32-25-11-7-22(8-12-25)21-5-9-23(27)10-6-21)4-2-3-17-29-18-19-30(26(29)31)24-13-15-28-16-14-24/h5-16,20H,2-4,17-19H2,1H3.
What are the key properties of 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 433.53 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-fluorophenyl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 58722326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).