5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen

C38H50F6N8O5S — CID 166553635

About 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen

5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen (PubChem CID 166553635) has the molecular formula C38H50F6N8O5S and a molecular weight of 844.92 g/mol. Its IUPAC name is 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen.

Molecular Properties

• Compound Name: 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen
• PubChem CID: 166553635
• Molecular Formula: C38H50F6N8O5S
• Molecular Weight: 844.92 g/mol
• Exact Mass: 844.35
• IUPAC Name: 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen
• SMILES: CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCCCC1.FC(F)F.O=C1CCC(c2ccc(NC(=O)CN3CCN(CCO)CC3)cc2)C(=O)N1.[H][H].[H][H]
• InChI: InChI=1S/C19H26N4O4.C18H19F3N4OS.CHF3.2H2/c24-12-11-22-7-9-23(10-8-22)13-18(26)20-15-3-1-14(2-4-15)16-5-6-17(25)21-19(16)27;1-17(2)15(26)24(16(27)25(17)11-6-4-3-5-7-11)12-8-13(18(19,20)21)14(9-22)23-10-12;2-1(3)4;;/h1-4,16,24H,5-13H2,(H,20,26)(H,21,25,27);8,10-11H,3-7H2,1-2H3;1H;2*1H
• InChIKey: AHHFYYHOUJUZFH-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 162.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.92
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen?

The IUPAC name of 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen (CID 166553635) is 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen.

What is the SMILES notation for 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen?

The canonical SMILES for 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen is CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCCCC1.FC(F)F.O=C1CCC(c2ccc(NC(=O)CN3CCN(CCO)CC3)cc2)C(=O)N1.[H][H].[H][H].

What is the InChIKey of 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen?

The InChIKey is AHHFYYHOUJUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4.C18H19F3N4OS.CHF3.2H2/c24-12-11-22-7-9-23(10-8-22)13-18(26)20-15-3-1-14(2-4-15)16-5-6-17(25)21-19(16)27;1-17(2)15(26)24(16(27)25(17)11-6-4-3-5-7-11)12-8-13(18(19,20)21)14(9-22)23-10-12;2-1(3)4;;/h1-4,16,24H,5-13H2,(H,20,26)(H,21,25,27);8,10-11H,3-7H2,1-2H3;1H;2*1H.

What are the key properties of 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen?

5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen has a molecular weight of 844.92 g/mol, XLogP of 5.44, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen is sourced from PubChem (CID 166553635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).