(5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide

C77H63N15O12S5 — CID 158124573

About (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide

(5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide (PubChem CID 158124573) has the molecular formula C77H63N15O12S5 and a molecular weight of 1550.78 g/mol. Its IUPAC name is (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide
• PubChem CID: 158124573
• Molecular Formula: C77H63N15O12S5
• Molecular Weight: 1550.78 g/mol
• Exact Mass: 1549.34
• IUPAC Name: (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide
• SMILES: Cc1cc2nc(NC(=O)c3ccc(/C=C4\SC(=O)NC4=O)cc3)[nH]c2cc1C.Cc1cc2nc(NCc3ccc(/C=C4\SC(=O)NC4=O)cc3)[nH]c2cc1C.Cc1cc2nc(NS(=O)(=O)c3ccc(/C=C4\SC(=O)NC4=O)cc3)[nH]c2cc1C.O=C1NC(=O)/C(=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)S1
• InChI: InChI=1S/C20H16N4O3S.C20H18N4O2S.C19H16N4O4S2.C18H13N3O3S/c1-10-7-14-15(8-11(10)2)22-19(21-14)23-17(25)13-5-3-12(4-6-13)9-16-18(26)24-20(27)28-16;1-11-7-15-16(8-12(11)2)23-19(22-15)21-10-14-5-3-13(4-6-14)9-17-18(25)24-20(26)27-17;1-10-7-14-15(8-11(10)2)21-18(20-14)23-29(26,27)13-5-3-12(4-6-13)9-16-17(24)22-19(25)28-16;22-17-15(25-18(23)21-17)9-11-5-7-12(8-6-11)24-10-16-19-13-3-1-2-4-14(13)20-16/h3-9H,1-2H3,(H,24,26,27)(H2,21,22,23,25);3-9H,10H2,1-2H3,(H2,21,22,23)(H,24,25,26);3-9H,1-2H3,(H2,20,21,23)(H,22,24,25);1-9H,10H2,(H,19,20)(H,21,22,23)/b16-9-;17-9-;16-9-;15-9-
• InChIKey: FRZUYNDCFRTLHG-NXPZLCBKSA-N
• XLogP: 14.64
• TPSA: 395.93 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1550.78
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide?

The IUPAC name of (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide (CID 158124573) is (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide.

What is the SMILES notation for (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide?

The canonical SMILES for (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide is Cc1cc2nc(NC(=O)c3ccc(/C=C4\SC(=O)NC4=O)cc3)[nH]c2cc1C.Cc1cc2nc(NCc3ccc(/C=C4\SC(=O)NC4=O)cc3)[nH]c2cc1C.Cc1cc2nc(NS(=O)(=O)c3ccc(/C=C4\SC(=O)NC4=O)cc3)[nH]c2cc1C.O=C1NC(=O)/C(=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)S1.

What is the InChIKey of (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide?

The InChIKey is FRZUYNDCFRTLHG-NXPZLCBKSA-N. The full InChI is InChI=1S/C20H16N4O3S.C20H18N4O2S.C19H16N4O4S2.C18H13N3O3S/c1-10-7-14-15(8-11(10)2)22-19(21-14)23-17(25)13-5-3-12(4-6-13)9-16-18(26)24-20(27)28-16;1-11-7-15-16(8-12(11)2)23-19(22-15)21-10-14-5-3-13(4-6-14)9-17-18(25)24-20(26)27-17;1-10-7-14-15(8-11(10)2)21-18(20-14)23-29(26,27)13-5-3-12(4-6-13)9-16-17(24)22-19(25)28-16;22-17-15(25-18(23)21-17)9-11-5-7-12(8-6-11)24-10-16-19-13-3-1-2-4-14(13)20-16/h3-9H,1-2H3,(H,24,26,27)(H2,21,22,23,25);3-9H,10H2,1-2H3,(H2,21,22,23)(H,24,25,26);3-9H,1-2H3,(H2,20,21,23)(H,22,24,25);1-9H,10H2,(H,19,20)(H,21,22,23)/b16-9-;17-9-;16-9-;15-9-.

What are the key properties of (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide?

(5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide has a molecular weight of 1550.78 g/mol, XLogP of 14.64, 15 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[4-(1H-benzimidazol-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide;N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonamide is sourced from PubChem (CID 158124573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).