(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide

C129H132N16O21S8 — CID 159500714

About (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide

(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide (PubChem CID 159500714) has the molecular formula C129H132N16O21S8 and a molecular weight of 2499.10 g/mol. Its IUPAC name is (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide.

Molecular Properties

• Compound Name: (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide
• PubChem CID: 159500714
• Molecular Formula: C129H132N16O21S8
• Molecular Weight: 2499.10 g/mol
• Exact Mass: 2496.75
• IUPAC Name: (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide
• SMILES: C#CCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCCC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)C1=O.C#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCC1(C)C=N1.C#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCCC.CCCOCCOCCNC(=O)Cn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21
• InChI: InChI=1S/C37H29N3O5S2.C33H35N5O5S2.C32H36N4O5S2.C27H32N4O6S2/c1-2-3-22-40-35(43)32(46-37(40)44)24-28-20-21-33(45-28)47-36-38-29-13-7-8-14-30(29)39(36)23-10-9-15-31(41)25-16-18-27(19-17-25)34(42)26-11-5-4-6-12-26;1-5-17-36(28(40)15-16-33(4)21-34-33)20-23(39)10-8-9-18-37-26-12-7-6-11-25(26)35-31(37)45-29-14-13-24(43-29)19-27-30(41)38(22(2)3)32(42)44-27;1-5-7-15-28(38)34(18-6-2)21-23(37)12-10-11-19-35-26-14-9-8-13-25(26)33-31(35)43-29-17-16-24(41-29)20-27-30(39)36(22(3)4)32(40)42-27;1-4-12-35-14-15-36-13-11-28-23(32)17-30-21-8-6-5-7-20(21)29-26(30)39-24-10-9-19(37-24)16-22-25(33)31(18(2)3)27(34)38-22/h1,4-8,11-14,16-21,24H,3,9-10,15,22-23H2;1,6-7,11-14,19,21-22H,8-10,15-18,20H2,2-4H3;2,8-9,13-14,16-17,20,22H,5,7,10-12,15,18-19,21H2,1,3-4H3;5-10,16,18H,4,11-15,17H2,1-3H3,(H,28,32)/b32-24-;27-19-;27-20-;22-16-
• InChIKey: LZIWHPVLVLDBPH-PWKWHIPFSA-N
• XLogP: 25.58
• TPSA: 442.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 57
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2499.10
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide?

The IUPAC name of (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide (CID 159500714) is (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide.

What is the SMILES notation for (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide?

The canonical SMILES for (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide is C#CCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCCC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)C1=O.C#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCC1(C)C=N1.C#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCCC.CCCOCCOCCNC(=O)Cn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21.

What is the InChIKey of (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide?

The InChIKey is LZIWHPVLVLDBPH-PWKWHIPFSA-N. The full InChI is InChI=1S/C37H29N3O5S2.C33H35N5O5S2.C32H36N4O5S2.C27H32N4O6S2/c1-2-3-22-40-35(43)32(46-37(40)44)24-28-20-21-33(45-28)47-36-38-29-13-7-8-14-30(29)39(36)23-10-9-15-31(41)25-16-18-27(19-17-25)34(42)26-11-5-4-6-12-26;1-5-17-36(28(40)15-16-33(4)21-34-33)20-23(39)10-8-9-18-37-26-12-7-6-11-25(26)35-31(37)45-29-14-13-24(43-29)19-27-30(41)38(22(2)3)32(42)44-27;1-5-7-15-28(38)34(18-6-2)21-23(37)12-10-11-19-35-26-14-9-8-13-25(26)33-31(35)43-29-17-16-24(41-29)20-27-30(39)36(22(3)4)32(40)42-27;1-4-12-35-14-15-36-13-11-28-23(32)17-30-21-8-6-5-7-20(21)29-26(30)39-24-10-9-19(37-24)16-22-25(33)31(18(2)3)27(34)38-22/h1,4-8,11-14,16-21,24H,3,9-10,15,22-23H2;1,6-7,11-14,19,21-22H,8-10,15-18,20H2,2-4H3;2,8-9,13-14,16-17,20,22H,5,7,10-12,15,18-19,21H2,1,3-4H3;5-10,16,18H,4,11-15,17H2,1-3H3,(H,28,32)/b32-24-;27-19-;27-20-;22-16-.

What are the key properties of (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide?

(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide has a molecular weight of 2499.10 g/mol, XLogP of 25.58, 57 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-N-[2-(2-propoxyethoxy)ethyl]acetamide is sourced from PubChem (CID 159500714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).