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

C22H19N5O3S — CID 10526785

IUPAC3-[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
InChIInChI=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)
InChIKeyQYRMEAOJLGMWNK-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.52
Rot. Bonds6

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 Name3-[2-oxo-2-[4-(2-sulfamoylphenyl)phenyl]ethyl]benzimidazole-5-carboximidamide
PubChem CID10526785
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name3-[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
InChIInChI=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)
InChIKeyQYRMEAOJLGMWNK-UHFFFAOYSA-N
XLogP2.52
TPSA144.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).