3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide

C₂₂H₁₉N₅O₃S — CID 10526785

About 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide

3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide (PubChem CID 10526785) has the molecular formula C₂₂H₁₉N₅O₃S and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide
• PubChem CID: 10526785
• Molecular Formula: C₂₂H₁₉N₅O₃S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.12
• IUPAC Name: 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide
• SMILES: [H]/N=C(\N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1
• InChI: InChI=1S/C22H19N5O3S/c23-22(24)16-9-10-18-19(11-16)27(13-26-18)12-20(28)15-7-5-14(6-8-15)17-3-1-2-4-21(17)31(25,29)30/h1-11,13H,12H2,(H3,23,24)(H2,25,29,30)
• InChIKey: QYRMEAOJLGMWNK-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 144.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide?

The IUPAC name of 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide (CID 10526785) is 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide.

What is the SMILES notation for 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide?

The canonical SMILES for 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1.

What is the InChIKey of 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide?

The InChIKey is QYRMEAOJLGMWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c23-22(24)16-9-10-18-19(11-16)27(13-26-18)12-20(28)15-7-5-14(6-8-15)17-3-1-2-4-21(17)31(25,29)30/h1-11,13H,12H2,(H3,23,24)(H2,25,29,30).

What are the key properties of 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide?

3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide has a molecular weight of 433.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide is sourced from PubChem (CID 10526785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10526785 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.