(5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one

C25H26ClN5OS — CID 135445213

About (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135445213) has the molecular formula C25H26ClN5OS and a molecular weight of 480.04 g/mol. Its IUPAC name is (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135445213
• Molecular Formula: C25H26ClN5OS
• Molecular Weight: 480.04 g/mol
• Exact Mass: 479.15
• IUPAC Name: (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1nc2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)cc2n1CCN1CCCCC1
• InChI: InChI=1S/C25H26ClN5OS/c1-17-27-21-10-9-18(15-22(21)31(17)14-13-30-11-5-2-6-12-30)16-23-24(32)29-25(33-23)28-20-8-4-3-7-19(20)26/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H,28,29,32)/b23-16+
• InChIKey: QLDKDZYVADCJEG-XQNSMLJCSA-N
• XLogP: 5.38
• TPSA: 62.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.04
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one (CID 135445213) is (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one is Cc1nc2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)cc2n1CCN1CCCCC1.

What is the InChIKey of (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?

The InChIKey is QLDKDZYVADCJEG-XQNSMLJCSA-N. The full InChI is InChI=1S/C25H26ClN5OS/c1-17-27-21-10-9-18(15-22(21)31(17)14-13-30-11-5-2-6-12-30)16-23-24(32)29-25(33-23)28-20-8-4-3-7-19(20)26/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3,(H,28,29,32)/b23-16+.

What are the key properties of (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?

(5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 480.04 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-2-(2-chlorophenyl)imino-5-[[2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135445213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).