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

C27H30ClN3O2 — CID 5278473

IUPAC1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(C)(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C27H30ClN3O2/c1-27(2,13-17-30-18-19-31(26(30)32)24-11-15-29-16-12-24)14-20-33-25-9-5-22(6-10-25)21-3-7-23(28)8-4-21/h3-12,15-16H,13-14,17-20H2,1-2H3
InChIKeyRYFHANBXZABRCS-UHFFFAOYSA-N
MW464.01 g/mol
LogP6.53
Rot. Bonds9

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

1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278473) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278473
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC Name1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(C)(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C27H30ClN3O2/c1-27(2,13-17-30-18-19-31(26(30)32)24-11-15-29-16-12-24)14-20-33-25-9-5-22(6-10-25)21-3-7-23(28)8-4-21/h3-12,15-16H,13-14,17-20H2,1-2H3
InChIKeyRYFHANBXZABRCS-UHFFFAOYSA-N
XLogP6.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(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
1-[5-[4-(4-Chlorophenyl)phenoxy]-2-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278479

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278473) is 1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one is CC(C)(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is RYFHANBXZABRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O2/c1-27(2,13-17-30-18-19-31(26(30)32)24-11-15-29-16-12-24)14-20-33-25-9-5-22(6-10-25)21-3-7-23(28)8-4-21/h3-12,15-16H,13-14,17-20H2,1-2H3.
What are the key properties of 1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(4-chlorophenyl)phenoxy]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 464.01 g/mol, XLogP of 6.53, 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]-3,3-dimethylpentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).