(5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C24H15Cl2N3O2S — CID 12019965

About (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 12019965) has the molecular formula C24H15Cl2N3O2S and a molecular weight of 480.38 g/mol. Its IUPAC name is (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 12019965
• Molecular Formula: C24H15Cl2N3O2S
• Molecular Weight: 480.38 g/mol
• Exact Mass: 479.03
• IUPAC Name: (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: O=C1NC(=O)/C(=C/c2ccc(-c3nc4cc(Cl)c(Cl)cc4n3Cc3ccccc3)cc2)S1
• InChI: InChI=1S/C24H15Cl2N3O2S/c25-17-11-19-20(12-18(17)26)29(13-15-4-2-1-3-5-15)22(27-19)16-8-6-14(7-9-16)10-21-23(30)28-24(31)32-21/h1-12H,13H2,(H,28,30,31)/b21-10-
• InChIKey: GUKXSCJQRGKGII-FBHDLOMBSA-N
• XLogP: 6.38
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.38
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 12019965) is (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3nc4cc(Cl)c(Cl)cc4n3Cc3ccccc3)cc2)S1.

What is the InChIKey of (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is GUKXSCJQRGKGII-FBHDLOMBSA-N. The full InChI is InChI=1S/C24H15Cl2N3O2S/c25-17-11-19-20(12-18(17)26)29(13-15-4-2-1-3-5-15)22(27-19)16-8-6-14(7-9-16)10-21-23(30)28-24(31)32-21/h1-12H,13H2,(H,28,30,31)/b21-10-.

What are the key properties of (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 480.38 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[4-(1-benzyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 12019965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).