5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one

C23H20N2O4S — CID 87951826

IUPAC5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(N2C(=O)C(C)(c3ccc(Oc4ccc(O)cc4)cc3)NC2=S)cc1
InChIInChI=1S/C23H20N2O4S/c1-23(15-3-9-19(10-4-15)29-20-13-7-17(26)8-14-20)21(27)25(22(30)24-23)16-5-11-18(28-2)12-6-16/h3-14,26H,1-2H3,(H,24,30)
InChIKeyUDENUYJVEQQEKX-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.33
Rot. Bonds5

About 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one

5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 87951826) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID87951826
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(N2C(=O)C(C)(c3ccc(Oc4ccc(O)cc4)cc3)NC2=S)cc1
InChIInChI=1S/C23H20N2O4S/c1-23(15-3-9-19(10-4-15)29-20-13-7-17(26)8-14-20)21(27)25(22(30)24-23)16-5-11-18(28-2)12-6-16/h3-14,26H,1-2H3,(H,24,30)
InChIKeyUDENUYJVEQQEKX-UHFFFAOYSA-N
XLogP4.33
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-benzylphenyl)-3-(4-chlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 87951519
4-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 59235199
(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129164
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 42995827
bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane
CID 158451070
(5S)-2,5-bis(4-methoxyphenyl)-5-methyl-1,2,4-triazolidine-3-thione
CID 100599629
(5R)-2,5-bis(4-methoxyphenyl)-5-methyl-1,2,4-triazolidine-3-thione
CID 100599639
(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
(5S)-3-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562562
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one (CID 87951826) is 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one is COc1ccc(N2C(=O)C(C)(c3ccc(Oc4ccc(O)cc4)cc3)NC2=S)cc1.
What is the InChIKey of 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UDENUYJVEQQEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-23(15-3-9-19(10-4-15)29-20-13-7-17(26)8-14-20)21(27)25(22(30)24-23)16-5-11-18(28-2)12-6-16/h3-14,26H,1-2H3,(H,24,30).
What are the key properties of 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 420.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 87951826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).