5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione

C132H120N18O23S6+2 — CID 158779978

About 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione

5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione (PubChem CID 158779978) has the molecular formula C132H120N18O23S6+2 and a molecular weight of 2518.92 g/mol. Its IUPAC name is 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione
• PubChem CID: 158779978
• Molecular Formula: C132H120N18O23S6+2
• Molecular Weight: 2518.92 g/mol
• Exact Mass: 2516.71
• IUPAC Name: 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione
• SMILES: Cc1cccc(COc2ccc(S(=O)(=O)c3cc[n+](O)cc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(S(=O)c3ccccc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cc[n+](O)cc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ccccc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cnn(C)c3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ncn(C)c3C3NC(=O)NC3=O)cc2)c1
• InChI: InChI=1S/C23H20N2O4S.C23H20N2O3S.C22H19N3O6S.C22H19N3O4S.2C21H20N4O3S/c1-15-5-4-6-16(13-15)14-29-17-9-11-18(12-10-17)30(28)20-8-3-2-7-19(20)21-22(26)25-23(27)24-21;1-15-5-4-6-16(13-15)14-28-17-9-11-18(12-10-17)29-20-8-3-2-7-19(20)21-22(26)25-23(27)24-21;1-14-3-2-4-15(11-14)13-31-16-5-7-17(8-6-16)32(29,30)19-9-10-25(28)12-18(19)20-21(26)24-22(27)23-20;1-14-3-2-4-15(11-14)13-29-16-5-7-17(8-6-16)30-19-9-10-25(28)12-18(19)20-21(26)24-22(27)23-20;1-13-4-3-5-14(10-13)12-28-15-6-8-16(9-7-15)29-17-11-22-25(2)19(17)18-20(26)24-21(27)23-18;1-13-4-3-5-14(10-13)11-28-15-6-8-16(9-7-15)29-20-18(25(2)12-22-20)17-19(26)24-21(27)23-17/h2-13,21H,14H2,1H3,(H2,24,25,26,27);2-13,21H,14H2,1H3,(H2,24,25,26,27);2-12,20H,13H2,1H3,(H2-,23,24,26,27,28);2-12,20H,13H2,1H3,(H2-,23,24,26,27,28);3-11,18H,12H2,1-2H3,(H2,23,24,26,27);3-10,12,17H,11H2,1-2H3,(H2,23,24,26,27)/p+2
• InChIKey: IQYIDRZJNMWOPK-UHFFFAOYSA-P
• XLogP: 19.85
• TPSA: 539.65 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2518.92
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione (CID 158779978) is 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione is Cc1cccc(COc2ccc(S(=O)(=O)c3cc[n+](O)cc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(S(=O)c3ccccc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cc[n+](O)cc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ccccc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cnn(C)c3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ncn(C)c3C3NC(=O)NC3=O)cc2)c1.

What is the InChIKey of 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione?

The InChIKey is IQYIDRZJNMWOPK-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H20N2O4S.C23H20N2O3S.C22H19N3O6S.C22H19N3O4S.2C21H20N4O3S/c1-15-5-4-6-16(13-15)14-29-17-9-11-18(12-10-17)30(28)20-8-3-2-7-19(20)21-22(26)25-23(27)24-21;1-15-5-4-6-16(13-15)14-28-17-9-11-18(12-10-17)29-20-8-3-2-7-19(20)21-22(26)25-23(27)24-21;1-14-3-2-4-15(11-14)13-31-16-5-7-17(8-6-16)32(29,30)19-9-10-25(28)12-18(19)20-21(26)24-22(27)23-20;1-14-3-2-4-15(11-14)13-29-16-5-7-17(8-6-16)30-19-9-10-25(28)12-18(19)20-21(26)24-22(27)23-20;1-13-4-3-5-14(10-13)12-28-15-6-8-16(9-7-15)29-17-11-22-25(2)19(17)18-20(26)24-21(27)23-18;1-13-4-3-5-14(10-13)11-28-15-6-8-16(9-7-15)29-20-18(25(2)12-22-20)17-19(26)24-21(27)23-17/h2-13,21H,14H2,1H3,(H2,24,25,26,27);2-13,21H,14H2,1H3,(H2,24,25,26,27);2-12,20H,13H2,1H3,(H2-,23,24,26,27,28);2-12,20H,13H2,1H3,(H2-,23,24,26,27,28);3-11,18H,12H2,1-2H3,(H2,23,24,26,27);3-10,12,17H,11H2,1-2H3,(H2,23,24,26,27)/p+2.

What are the key properties of 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione?

5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione has a molecular weight of 2518.92 g/mol, XLogP of 19.85, 36 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[1-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylpyridin-1-ium-3-yl]imidazolidine-2,4-dione;5-[3-methyl-5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylphenyl]imidazolidine-2,4-dione;5-[2-[4-[(3-methylphenyl)methoxy]phenyl]sulfinylphenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158779978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).