1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

C123H111ClN14O22S7 — CID 158814666

About 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 158814666) has the molecular formula C123H111ClN14O22S7 and a molecular weight of 2397.24 g/mol. Its IUPAC name is 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
• PubChem CID: 158814666
• Molecular Formula: C123H111ClN14O22S7
• Molecular Weight: 2397.24 g/mol
• Exact Mass: 2394.57
• IUPAC Name: 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
• SMILES: CC(C)N1C(=O)S/C(=C\c2cc3ccc(OC4=Nc5ccccc5C4)cc3o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CC(=O)NCCOCCOCC(=O)Cc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)o2)C1=O.CN(C)C1C(=O)S/C(=C\c2ccc(OC3=Nc4ccccc4C3)cc2)C1=O.Cl.NCCCn1c(Sc2ccc(C(=O)Cc3ccccc3)o2)nc2ccccc21.O=C1CSC(=O)N1Cc1ccc(SC2=Nc3ccccc3C2)o1
• InChI: InChI=1S/C41H41N5O10S2.C23H18N2O4S.C22H21N3O2S.C21H18N2O3S.C16H12N2O3S2.ClH/c1-24(2)46-39(52)35(57-41(46)53)20-28-11-13-37(56-28)58-40-43-31-8-3-4-9-32(31)45(40)22-36(50)42-14-15-54-16-17-55-23-27(48)18-25-6-5-7-29-30(25)21-44(38(29)51)33-12-10-26(47)19-34(33)49;1-13(2)25-22(26)20(30-23(25)27)12-17-9-15-7-8-16(11-19(15)28-17)29-21-10-14-5-3-4-6-18(14)24-21;23-13-6-14-25-18-10-5-4-9-17(18)24-22(25)28-21-12-11-20(27-21)19(26)15-16-7-2-1-3-8-16;1-23(2)19-20(24)17(27-21(19)25)11-13-7-9-15(10-8-13)26-18-12-14-5-3-4-6-16(14)22-18;19-14-9-22-16(20)18(14)8-11-5-6-15(21-11)23-13-7-10-3-1-2-4-12(10)17-13;/h3-9,11,13,20,24,33H,10,12,14-19,21-23H2,1-2H3,(H,42,50);3-9,11-13H,10H2,1-2H3;1-5,7-12H,6,13-15,23H2;3-11,19H,12H2,1-2H3;1-6H,7-9H2;1H/b35-20-;20-12-;;17-11-
• InChIKey: OMAMJSLOIXGIGR-JNLVXERLSA-N
• XLogP: 22.67
• TPSA: 455.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2397.24
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?

The IUPAC name of 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (CID 158814666) is 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.

What is the SMILES notation for 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?

The canonical SMILES for 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is CC(C)N1C(=O)S/C(=C\c2cc3ccc(OC4=Nc5ccccc5C4)cc3o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CC(=O)NCCOCCOCC(=O)Cc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)o2)C1=O.CN(C)C1C(=O)S/C(=C\c2ccc(OC3=Nc4ccccc4C3)cc2)C1=O.Cl.NCCCn1c(Sc2ccc(C(=O)Cc3ccccc3)o2)nc2ccccc21.O=C1CSC(=O)N1Cc1ccc(SC2=Nc3ccccc3C2)o1.

What is the InChIKey of 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?

The InChIKey is OMAMJSLOIXGIGR-JNLVXERLSA-N. The full InChI is InChI=1S/C41H41N5O10S2.C23H18N2O4S.C22H21N3O2S.C21H18N2O3S.C16H12N2O3S2.ClH/c1-24(2)46-39(52)35(57-41(46)53)20-28-11-13-37(56-28)58-40-43-31-8-3-4-9-32(31)45(40)22-36(50)42-14-15-54-16-17-55-23-27(48)18-25-6-5-7-29-30(25)21-44(38(29)51)33-12-10-26(47)19-34(33)49;1-13(2)25-22(26)20(30-23(25)27)12-17-9-15-7-8-16(11-19(15)28-17)29-21-10-14-5-3-4-6-18(14)24-21;23-13-6-14-25-18-10-5-4-9-17(18)24-22(25)28-21-12-11-20(27-21)19(26)15-16-7-2-1-3-8-16;1-23(2)19-20(24)17(27-21(19)25)11-13-7-9-15(10-8-13)26-18-12-14-5-3-4-6-16(14)22-18;19-14-9-22-16(20)18(14)8-11-5-6-15(21-11)23-13-7-10-3-1-2-4-12(10)17-13;/h3-9,11,13,20,24,33H,10,12,14-19,21-23H2,1-2H3,(H,42,50);3-9,11-13H,10H2,1-2H3;1-5,7-12H,6,13-15,23H2;3-11,19H,12H2,1-2H3;1-6H,7-9H2;1H/b35-20-;20-12-;;17-11-;;.

What are the key properties of 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?

1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 2397.24 g/mol, XLogP of 22.67, 34 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-3-(dimethylamino)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]thiolane-2,4-dione;N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;(5Z)-5-[[6-(3H-indol-2-yloxy)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 158814666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).