3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid

C23H19N3O4S — CID 12798407

IUPAC3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cnc(S(=O)(=O)Nc2ccccc2)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O4S/c27-22(28)20-16-24-23(31(29,30)25-19-14-8-3-9-15-19)26(20)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16,21,25H,(H,27,28)
InChIKeyQVZQXPFRDXBJIG-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.02
Rot. Bonds7

About 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid

3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid (PubChem CID 12798407) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid
PubChem CID12798407
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cnc(S(=O)(=O)Nc2ccccc2)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O4S/c27-22(28)20-16-24-23(31(29,30)25-19-14-8-3-9-15-19)26(20)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16,21,25H,(H,27,28)
InChIKeyQVZQXPFRDXBJIG-UHFFFAOYSA-N
XLogP4.02
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid 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-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid (CID 12798407) is 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid is O=C(O)c1cnc(S(=O)(=O)Nc2ccccc2)n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid?
The InChIKey is QVZQXPFRDXBJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c27-22(28)20-16-24-23(31(29,30)25-19-14-8-3-9-15-19)26(20)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16,21,25H,(H,27,28).
What are the key properties of 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid?
3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid has a molecular weight of 433.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2-(phenylsulfamoyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 12798407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).