(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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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

C127H130N18O21S8 — CID 157302429

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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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 157302429) has the molecular formula C127H130N18O21S8 and a molecular weight of 2501.08 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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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: 157302429
• Molecular Formula: C127H130N18O21S8
• Molecular Weight: 2501.08 g/mol
• Exact Mass: 2498.74
• 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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCCC(=O)CN(CC#N)C(=O)CCC3(C)C=N3)o2)C1=O.CCCCC(=O)N(CC#N)CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21.CCCOCCOCCNC(=O)Cn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21
• InChI: InChI=1S/C37H29N3O5S2.C32H34N6O5S2.C31H35N5O5S2.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;1-21(2)38-29(41)26(44-31(38)42)18-23-11-12-28(43-23)45-30-35-24-9-4-5-10-25(24)37(30)16-7-6-8-22(39)19-36(17-15-33)27(40)13-14-32(3)20-34-32;1-4-5-13-27(38)34(18-16-32)20-22(37)10-8-9-17-35-25-12-7-6-11-24(25)33-30(35)43-28-15-14-23(41-28)19-26-29(39)36(21(2)3)31(40)42-26;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;4-5,9-12,18,20-21H,6-8,13-14,16-17,19H2,1-3H3;6-7,11-12,14-15,19,21H,4-5,8-10,13,17-18,20H2,1-3H3;5-10,16,18H,4,11-15,17H2,1-3H3,(H,28,32)/b32-24-;26-18-;26-19-;22-16-
• InChIKey: BCBDALSKEJBGLC-QGCXPMICSA-N
• XLogP: 25.36
• TPSA: 489.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 57
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.08
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', '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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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 157302429) 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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCCC(=O)CN(CC#N)C(=O)CCC3(C)C=N3)o2)C1=O.CCCCC(=O)N(CC#N)CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21.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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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 BCBDALSKEJBGLC-QGCXPMICSA-N. The full InChI is InChI=1S/C37H29N3O5S2.C32H34N6O5S2.C31H35N5O5S2.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;1-21(2)38-29(41)26(44-31(38)42)18-23-11-12-28(43-23)45-30-35-24-9-4-5-10-25(24)37(30)16-7-6-8-22(39)19-36(17-15-33)27(40)13-14-32(3)20-34-32;1-4-5-13-27(38)34(18-16-32)20-22(37)10-8-9-17-35-25-12-7-6-11-24(25)33-30(35)43-28-15-14-23(41-28)19-26-29(39)36(21(2)3)31(40)42-26;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;4-5,9-12,18,20-21H,6-8,13-14,16-17,19H2,1-3H3;6-7,11-12,14-15,19,21H,4-5,8-10,13,17-18,20H2,1-3H3;5-10,16,18H,4,11-15,17H2,1-3H3,(H,28,32)/b32-24-;26-18-;26-19-;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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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 2501.08 g/mol, XLogP of 25.36, 57 rotatable bonds, 1 hydrogen bond donors, and 40 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-(cyanomethyl)-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)propanamide;N-(cyanomethyl)-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]pentanamide;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 157302429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).