1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one

C28H32ClN3O2 — CID 5278471

IUPAC1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCCC(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C28H32ClN3O2/c1-2-3-22(14-18-31-19-20-32(28(31)33)26-12-16-30-17-13-26)15-21-34-27-10-6-24(7-11-27)23-4-8-25(29)9-5-23/h4-13,16-17,22H,2-3,14-15,18-21H2,1H3
InChIKeyQAFYISOWNOZOON-UHFFFAOYSA-N
MW478.04 g/mol
LogP6.92
Rot. Bonds11

About 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one

1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278471) has the molecular formula C28H32ClN3O2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278471
Molecular FormulaC28H32ClN3O2
Molecular Weight478.04 g/mol
Exact Mass477.22
IUPAC Name1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCCC(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C28H32ClN3O2/c1-2-3-22(14-18-31-19-20-32(28(31)33)26-12-16-30-17-13-26)15-21-34-27-10-6-24(7-11-27)23-4-8-25(29)9-5-23/h4-13,16-17,22H,2-3,14-15,18-21H2,1H3
InChIKeyQAFYISOWNOZOON-UHFFFAOYSA-N
XLogP6.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278471) is 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one is CCCC(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is QAFYISOWNOZOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O2/c1-2-3-22(14-18-31-19-20-32(28(31)33)26-12-16-30-17-13-26)15-21-34-27-10-6-24(7-11-27)23-4-8-25(29)9-5-23/h4-13,16-17,22H,2-3,14-15,18-21H2,1H3.
What are the key properties of 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 478.04 g/mol, XLogP of 6.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-(4-chlorophenyl)phenoxy]ethyl]hexyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).