1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one

C26H28ClN3O2 — CID 5278478

IUPAC1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCCCOc1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccncc2)C1=O
InChIInChI=1S/C26H28ClN3O2/c1-20(29-17-18-30(26(29)31)24-13-15-28-16-14-24)4-2-3-19-32-25-11-7-22(8-12-25)21-5-9-23(27)10-6-21/h5-16,20H,2-4,17-19H2,1H3
InChIKeyYOPOMDVDQYQSTC-UHFFFAOYSA-N
MW449.98 g/mol
LogP6.28
Rot. Bonds9

About 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one

1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278478) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278478
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCCCOc1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccncc2)C1=O
InChIInChI=1S/C26H28ClN3O2/c1-20(29-17-18-30(26(29)31)24-13-15-28-16-14-24)4-2-3-19-32-25-11-7-22(8-12-25)21-5-9-23(27)10-6-21/h5-16,20H,2-4,17-19H2,1H3
InChIKeyYOPOMDVDQYQSTC-UHFFFAOYSA-N
XLogP6.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 56.28
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-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278478) is 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one is CC(CCCCOc1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is YOPOMDVDQYQSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-20(29-17-18-30(26(29)31)24-13-15-28-16-14-24)4-2-3-19-32-25-11-7-22(8-12-25)21-5-9-23(27)10-6-21/h5-16,20H,2-4,17-19H2,1H3.
What are the key properties of 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one?
1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 449.98 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).