N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane

C44H49F4N5O10 — CID 159917259

About N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane

N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane (PubChem CID 159917259) has the molecular formula C44H49F4N5O10 and a molecular weight of 883.89 g/mol. Its IUPAC name is N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane.

Molecular Properties

• Compound Name: N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane
• PubChem CID: 159917259
• Molecular Formula: C44H49F4N5O10
• Molecular Weight: 883.89 g/mol
• Exact Mass: 883.34
• IUPAC Name: N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane
• SMILES: C.O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCC4CCC(n5c(NC(=O)c6cccc(C(F)(F)F)c6)nc6cc(F)ccc65)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C43H45F4N5O10.CH4/c44-29-6-11-35-34(23-29)48-42(50-38(54)27-2-1-3-28(22-27)43(45,46)47)51(35)30-7-4-26(5-8-30)25-61-19-18-59-15-14-58-16-17-60-20-21-62-31-9-10-32-33(24-31)41(57)52(40(32)56)36-12-13-37(53)49-39(36)55;/h1-3,6,9-11,22-24,26,30,36H,4-5,7-8,12-21,25H2,(H,48,50,54)(H,49,53,55);1H4
• InChIKey: NXYAOTQTNSWXEQ-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 176.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	883.89
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane?

The IUPAC name of N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane (CID 159917259) is N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane.

What is the SMILES notation for N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane?

The canonical SMILES for N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane is C.O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCC4CCC(n5c(NC(=O)c6cccc(C(F)(F)F)c6)nc6cc(F)ccc65)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane?

The InChIKey is NXYAOTQTNSWXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45F4N5O10.CH4/c44-29-6-11-35-34(23-29)48-42(50-38(54)27-2-1-3-28(22-27)43(45,46)47)51(35)30-7-4-26(5-8-30)25-61-19-18-59-15-14-58-16-17-60-20-21-62-31-9-10-32-33(24-31)41(57)52(40(32)56)36-12-13-37(53)49-39(36)55;/h1-3,6,9-11,22-24,26,30,36H,4-5,7-8,12-21,25H2,(H,48,50,54)(H,49,53,55);1H4.

What are the key properties of N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane?

N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane has a molecular weight of 883.89 g/mol, XLogP of 6.36, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane is sourced from PubChem (CID 159917259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).