N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C99H116BrF6N11O20 — CID 167573209

IUPACN-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESO=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(COCCOCCOCCOCCBr)CC1)c1cccc(C(F)(F)F)c1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCC4CCC(n5c(CC(=O)c6cccc(C(F)(F)F)c6)nc6cc(CN7CCCCC7)ccc65)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C50H58F3N5O10.C36H48BrF3N4O5.C13H10N2O5/c51-50(52,53)36-6-4-5-35(28-36)44(59)30-45-54-41-27-34(31-56-17-2-1-3-18-56)9-14-42(41)57(45)37-10-7-33(8-11-37)32-67-24-23-65-20-19-64-21-22-66-25-26-68-38-12-13-39-40(29-38)49(63)58(48(39)62)43-15-16-46(60)55-47(43)61;37-13-16-46-17-18-47-19-20-48-21-22-49-26-27-7-10-31(11-8-27)44-33-12-9-28(25-43-14-2-1-3-15-43)23-32(33)41-35(44)42-34(45)29-5-4-6-30(24-29)36(38,39)40;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h4-6,9,12-14,27-29,33,37,43H,1-3,7-8,10-11,15-26,30-32H2,(H,55,60,61);4-6,9,12,23-24,27,31H,1-3,7-8,10-11,13-22,25-26H2,(H,41,42,45);1-2,5,9,16H,3-4H2,(H,14,17,18)
InChIKeyGEMAYWWLFUVJME-UHFFFAOYSA-N
MW1973.97 g/mol
LogP14.02
Rot. Bonds41

About N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 167573209) has the molecular formula C99H116BrF6N11O20 and a molecular weight of 1973.97 g/mol. Its IUPAC name is N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound NameN-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID167573209
Molecular FormulaC99H116BrF6N11O20
Molecular Weight1973.97 g/mol
Exact Mass1971.75
IUPAC NameN-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESO=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(COCCOCCOCCOCCBr)CC1)c1cccc(C(F)(F)F)c1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCC4CCC(n5c(CC(=O)c6cccc(C(F)(F)F)c6)nc6cc(CN7CCCCC7)ccc65)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C50H58F3N5O10.C36H48BrF3N4O5.C13H10N2O5/c51-50(52,53)36-6-4-5-35(28-36)44(59)30-45-54-41-27-34(31-56-17-2-1-3-18-56)9-14-42(41)57(45)37-10-7-33(8-11-37)32-67-24-23-65-20-19-64-21-22-66-25-26-68-38-12-13-39-40(29-38)49(63)58(48(39)62)43-15-16-46(60)55-47(43)61;37-13-16-46-17-18-47-19-20-48-21-22-49-26-27-7-10-31(11-8-27)44-33-12-9-28(25-43-14-2-1-3-15-43)23-32(33)41-35(44)42-34(45)29-5-4-6-30(24-29)36(38,39)40;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h4-6,9,12-14,27-29,33,37,43H,1-3,7-8,10-11,15-26,30-32H2,(H,55,60,61);4-6,9,12,23-24,27,31H,1-3,7-8,10-11,13-22,25-26H2,(H,41,42,45);1-2,5,9,16H,3-4H2,(H,14,17,18)
InChIKeyGEMAYWWLFUVJME-UHFFFAOYSA-N
XLogP14.02
TPSA358.69 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.97
LogP ≤ 514.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 167573209) is N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(COCCOCCOCCOCCBr)CC1)c1cccc(C(F)(F)F)c1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCC4CCC(n5c(CC(=O)c6cccc(C(F)(F)F)c6)nc6cc(CN7CCCCC7)ccc65)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is GEMAYWWLFUVJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H58F3N5O10.C36H48BrF3N4O5.C13H10N2O5/c51-50(52,53)36-6-4-5-35(28-36)44(59)30-45-54-41-27-34(31-56-17-2-1-3-18-56)9-14-42(41)57(45)37-10-7-33(8-11-37)32-67-24-23-65-20-19-64-21-22-66-25-26-68-38-12-13-39-40(29-38)49(63)58(48(39)62)43-15-16-46(60)55-47(43)61;37-13-16-46-17-18-47-19-20-48-21-22-49-26-27-7-10-31(11-8-27)44-33-12-9-28(25-43-14-2-1-3-15-43)23-32(33)41-35(44)42-34(45)29-5-4-6-30(24-29)36(38,39)40;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h4-6,9,12-14,27-29,33,37,43H,1-3,7-8,10-11,15-26,30-32H2,(H,55,60,61);4-6,9,12,23-24,27,31H,1-3,7-8,10-11,13-22,25-26H2,(H,41,42,45);1-2,5,9,16H,3-4H2,(H,14,17,18).
What are the key properties of N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 1973.97 g/mol, XLogP of 14.02, 41 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[[4-[2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 167573209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).