methane;5-[1-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

C43H44N8O6S2 — CID 159686205

About methane;5-[1-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

methane;5-[1-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 (PubChem CID 159686205) has the molecular formula C43H44N8O6S2 and a molecular weight of 833.01 g/mol. Its IUPAC name is methane;5-[1-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.

Molecular Properties

• Compound Name: methane;5-[1-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
• PubChem CID: 159686205
• Molecular Formula: C43H44N8O6S2
• Molecular Weight: 833.01 g/mol
• Exact Mass: 832.28
• IUPAC Name: methane;5-[1-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
• SMILES: C.Cc1cccc(COc2ccc(Sc3c(C4NC(=O)NC4=O)ncn3C)cc2)c1.Cc1cccc(COc2ccc(Sc3cnn(C)c3C3NC(=O)NC3=O)cc2)c1
• InChI: InChI=1S/2C21H20N4O3S.CH4/c1-13-4-3-5-14(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(22-12-25(20)2)17-19(26)24-21(27)23-17;/h3-11,18H,12H2,1-2H3,(H2,23,24,26,27);3-10,12,17H,11H2,1-2H3,(H2,23,24,26,27);1H4
• InChIKey: MVVGHIPLCCSDAU-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 170.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	833.01
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;5-[1-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?

The IUPAC name of methane;5-[1-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 (CID 159686205) is methane;5-[1-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.

What is the SMILES notation for methane;5-[1-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?

The canonical SMILES for methane;5-[1-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 is C.Cc1cccc(COc2ccc(Sc3c(C4NC(=O)NC4=O)ncn3C)cc2)c1.Cc1cccc(COc2ccc(Sc3cnn(C)c3C3NC(=O)NC3=O)cc2)c1.

What is the InChIKey of methane;5-[1-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?

The InChIKey is MVVGHIPLCCSDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N4O3S.CH4/c1-13-4-3-5-14(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(22-12-25(20)2)17-19(26)24-21(27)23-17;/h3-11,18H,12H2,1-2H3,(H2,23,24,26,27);3-10,12,17H,11H2,1-2H3,(H2,23,24,26,27);1H4.

What are the key properties of methane;5-[1-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?

methane;5-[1-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 has a molecular weight of 833.01 g/mol, XLogP of 7.31, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;5-[1-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 is sourced from PubChem (CID 159686205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).