5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)

C187H167N29O36S9+2 — CID 162100190

About 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)

5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) (PubChem CID 162100190) has the molecular formula C187H167N29O36S9+2 and a molecular weight of 3685.16 g/mol. Its IUPAC name is 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione).

Molecular Properties

• Compound Name: 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)
• PubChem CID: 162100190
• Molecular Formula: C187H167N29O36S9+2
• Molecular Weight: 3685.16 g/mol
• Exact Mass: 3681.96
• IUPAC Name: 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)
• SMILES: CCc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(S(=O)(=O)c3cc[n+](O)cc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cc[n+](O)cc3C3NC(=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.Cc1cccc(COc2ccc(Sc3ncoc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ncoc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1
• InChI: InChI=1S/C22H19N3O6S.C22H19N3O4S.2C21H20N4O3S.C21H19N3O4S.4C20H17N3O4S/c1-14-3-2-4-15(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;1-2-13-4-3-5-14(10-13)11-27-15-6-8-16(9-7-15)29-20-18(22-12-28-20)17-19(25)24-21(26)23-17;2*1-12-3-2-4-13(9-12)10-26-14-5-7-15(8-6-14)28-19-17(27-11-21-19)16-18(24)23-20(25)22-16;2*1-12-3-2-4-13(9-12)10-26-14-5-7-15(8-6-14)28-19-17(21-11-27-19)16-18(24)23-20(25)22-16/h2-12,20H,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);3-10,12,17H,2,11H2,1H3,(H2,23,24,25,26);4*2-9,11,16H,10H2,1H3,(H2,22,23,24,25)/p+2
• InChIKey: ZETVOZSPKKMNCQ-UHFFFAOYSA-P
• XLogP: 29.84
• TPSA: 855.02 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 53
• Rotatable Bonds: 55
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3685.16
LogP ≤ 5	29.84
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	53

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-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)?

The IUPAC name of 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) (CID 162100190) is 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione).

What is the SMILES notation for 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)?

The canonical SMILES for 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) is CCc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(S(=O)(=O)c3cc[n+](O)cc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cc[n+](O)cc3C3NC(=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.Cc1cccc(COc2ccc(Sc3ncoc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ncoc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.

What is the InChIKey of 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)?

The InChIKey is ZETVOZSPKKMNCQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H19N3O6S.C22H19N3O4S.2C21H20N4O3S.C21H19N3O4S.4C20H17N3O4S/c1-14-3-2-4-15(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;1-2-13-4-3-5-14(10-13)11-27-15-6-8-16(9-7-15)29-20-18(22-12-28-20)17-19(25)24-21(26)23-17;2*1-12-3-2-4-13(9-12)10-26-14-5-7-15(8-6-14)28-19-17(27-11-21-19)16-18(24)23-20(25)22-16;2*1-12-3-2-4-13(9-12)10-26-14-5-7-15(8-6-14)28-19-17(21-11-27-19)16-18(24)23-20(25)22-16/h2-12,20H,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);3-10,12,17H,2,11H2,1H3,(H2,23,24,25,26);4*2-9,11,16H,10H2,1H3,(H2,22,23,24,25)/p+2.

What are the key properties of 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)?

5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) has a molecular weight of 3685.16 g/mol, XLogP of 29.84, 55 rotatable bonds, 20 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]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;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) is sourced from PubChem (CID 162100190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).