5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione)

C133H118N20O18S6 — CID 159797351

About 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione)

5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione) (PubChem CID 159797351) has the molecular formula C133H118N20O18S6 and a molecular weight of 2476.93 g/mol. Its IUPAC name is 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione).

Molecular Properties

• Compound Name: 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione)
• PubChem CID: 159797351
• Molecular Formula: C133H118N20O18S6
• Molecular Weight: 2476.93 g/mol
• Exact Mass: 2474.73
• IUPAC Name: 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione)
• SMILES: CCc1cc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)ccn1.CCc1cncc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(C)c2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1
• InChI: InChI=1S/C23H21N3O3S.2C22H20N4O3S.3C22H19N3O3S/c1-14-4-3-5-16(10-14)13-29-17-6-7-19(15(2)11-17)30-20-8-9-24-12-18(20)21-22(27)26-23(28)25-21;1-2-15-11-14(7-10-24-15)13-29-16-3-5-17(6-4-16)30-19-8-9-23-12-18(19)20-21(27)26-22(28)25-20;1-2-14-9-15(11-24-10-14)13-29-16-3-5-17(6-4-16)30-19-7-8-23-12-18(19)20-21(27)26-22(28)25-20;3*1-14-3-2-4-15(11-14)13-28-16-5-7-17(8-6-16)29-19-9-10-23-12-18(19)20-21(26)25-22(27)24-20/h3-12,21H,13H2,1-2H3,(H2,25,26,27,28);2*3-12,20H,2,13H2,1H3,(H2,25,26,27,28);3*2-12,20H,13H2,1H3,(H2,24,25,26,27)
• InChIKey: NJINFXZEYOJGQR-UHFFFAOYSA-N
• XLogP: 23.61
• TPSA: 507.70 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.93
LogP ≤ 5	23.61
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione)?

The IUPAC name of 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione) (CID 159797351) is 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione).

What is the SMILES notation for 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione)?

The canonical SMILES for 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione) is CCc1cc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)ccn1.CCc1cncc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(C)c2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.

What is the InChIKey of 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione)?

The InChIKey is NJINFXZEYOJGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S.2C22H20N4O3S.3C22H19N3O3S/c1-14-4-3-5-16(10-14)13-29-17-6-7-19(15(2)11-17)30-20-8-9-24-12-18(20)21-22(27)26-23(28)25-21;1-2-15-11-14(7-10-24-15)13-29-16-3-5-17(6-4-16)30-19-8-9-23-12-18(19)20-21(27)26-22(28)25-20;1-2-14-9-15(11-24-10-14)13-29-16-3-5-17(6-4-16)30-19-7-8-23-12-18(19)20-21(27)26-22(28)25-20;3*1-14-3-2-4-15(11-14)13-28-16-5-7-17(8-6-16)29-19-9-10-23-12-18(19)20-21(26)25-22(27)24-20/h3-12,21H,13H2,1-2H3,(H2,25,26,27,28);2*3-12,20H,2,13H2,1H3,(H2,25,26,27,28);3*2-12,20H,13H2,1H3,(H2,24,25,26,27).

What are the key properties of 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione)?

5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione) has a molecular weight of 2476.93 g/mol, XLogP of 23.61, 38 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-ethyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;tris(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione) is sourced from PubChem (CID 159797351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).