1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one

C28H24ClN3O2 — CID 5278461

IUPAC1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(Cc2cccc(COc3ccc(-c4ccc(Cl)cc4)cc3)c2)CCN1c1ccncc1
InChIInChI=1S/C28H24ClN3O2/c29-25-8-4-23(5-9-25)24-6-10-27(11-7-24)34-20-22-3-1-2-21(18-22)19-31-16-17-32(28(31)33)26-12-14-30-15-13-26/h1-15,18H,16-17,19-20H2
InChIKeyBEJNLENDOXILAD-UHFFFAOYSA-N
MW469.97 g/mol
LogP6.42
Rot. Bonds7

About 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one

1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278461) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278461
Molecular FormulaC28H24ClN3O2
Molecular Weight469.97 g/mol
Exact Mass469.16
IUPAC Name1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(Cc2cccc(COc3ccc(-c4ccc(Cl)cc4)cc3)c2)CCN1c1ccncc1
InChIInChI=1S/C28H24ClN3O2/c29-25-8-4-23(5-9-25)24-6-10-27(11-7-24)34-20-22-3-1-2-21(18-22)19-31-16-17-32(28(31)33)26-12-14-30-15-13-26/h1-15,18H,16-17,19-20H2
InChIKeyBEJNLENDOXILAD-UHFFFAOYSA-N
XLogP6.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one with MolForge

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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-[7-(4-Chlorophenoxy)heptyl]-3-(4-pyridyl)imidazolidin-2-one
CID 493087
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
1-[5-[4-(4-Chlorophenyl)phenoxy]-2-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278479
1-[5-[4-(4-Chlorophenyl)phenoxy]-4-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278480

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278461) is 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one is O=C1N(Cc2cccc(COc3ccc(-c4ccc(Cl)cc4)cc3)c2)CCN1c1ccncc1.
What is the InChIKey of 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is BEJNLENDOXILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c29-25-8-4-23(5-9-25)24-6-10-27(11-7-24)34-20-22-3-1-2-21(18-22)19-31-16-17-32(28(31)33)26-12-14-30-15-13-26/h1-15,18H,16-17,19-20H2.
What are the key properties of 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 469.97 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).