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

C43H45F4N5O10 — CID 138656911

IUPACN-[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
SMILESO=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCC4CCC(n5c(NC(=O)c6cccc(C(F)(F)F)c6)nc6cc(F)ccc65)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C43H45F4N5O10/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)
InChIKeyRVYXIKJSPFQRDT-UHFFFAOYSA-N
MW867.85 g/mol
LogP5.72
Rot. Bonds19

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

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 (PubChem CID 138656911) has the molecular formula C43H45F4N5O10 and a molecular weight of 867.85 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.

Molecular Properties

Compound NameN-[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
PubChem CID138656911
Molecular FormulaC43H45F4N5O10
Molecular Weight867.85 g/mol
Exact Mass867.31
IUPAC NameN-[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
SMILESO=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCC4CCC(n5c(NC(=O)c6cccc(C(F)(F)F)c6)nc6cc(F)ccc65)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C43H45F4N5O10/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)
InChIKeyRVYXIKJSPFQRDT-UHFFFAOYSA-N
XLogP5.72
TPSA176.62 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.85
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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?
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 (CID 138656911) 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.
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?
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 is 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?
The InChIKey is RVYXIKJSPFQRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45F4N5O10/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).
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?
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 has a molecular weight of 867.85 g/mol, XLogP of 5.72, 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 is sourced from PubChem (CID 138656911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).