1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one

C26H28ClN3O2 — CID 5278479

IUPAC1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCCOc1ccc(-c2ccc(Cl)cc2)cc1)CN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C26H28ClN3O2/c1-20(19-29-16-17-30(26(29)31)24-12-14-28-15-13-24)3-2-18-32-25-10-6-22(7-11-25)21-4-8-23(27)9-5-21/h4-15,20H,2-3,16-19H2,1H3
InChIKeyWRIVHMMUCLJJIK-UHFFFAOYSA-N
MW449.98 g/mol
LogP6.14
Rot. Bonds9

About 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one

1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278479) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278479
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCCOc1ccc(-c2ccc(Cl)cc2)cc1)CN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C26H28ClN3O2/c1-20(19-29-16-17-30(26(29)31)24-12-14-28-15-13-24)3-2-18-32-25-10-6-22(7-11-25)21-4-8-23(27)9-5-21/h4-15,20H,2-3,16-19H2,1H3
InChIKeyWRIVHMMUCLJJIK-UHFFFAOYSA-N
XLogP6.14
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 ≤ 56.14
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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Related Compounds

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
1-[5-[4-[(Z)-ethoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58934084
1-(4-Pyridyl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
CID 493080
1-[7-(4-Chlorophenoxy)heptyl]-3-(4-pyridyl)imidazolidin-2-one
CID 493087
1-[[3-[[4-(4-Chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278461
1-[2-[2-[4-(4-Chlorophenyl)phenoxy]ethyl-methyl-amino]ethyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278465
1-[5-[4-(4-Chlorophenyl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278469
1-[5-[4-(4-Chlorophenyl)phenoxy]-3-ethyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278470
1-[3-[2-[4-(4-Chlorophenyl)phenoxy]ethyl]hexyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278471
1-[5-[4-(4-Chlorophenyl)phenoxy]-3,3-dimethyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278473
1-[5-[4-(4-Chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278474
1-[5-[4-(4-Chlorophenyl)phenoxy]-1-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278478

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278479) is 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one is CC(CCCOc1ccc(-c2ccc(Cl)cc2)cc1)CN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is WRIVHMMUCLJJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-20(19-29-16-17-30(26(29)31)24-12-14-28-15-13-24)3-2-18-32-25-10-6-22(7-11-25)21-4-8-23(27)9-5-21/h4-15,20H,2-3,16-19H2,1H3.
What are the key properties of 1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 449.98 g/mol, XLogP of 6.14, 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-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).