potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide

C13H11KN2O4S — CID 163653698

IUPACpotassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide
SMILESO=S(=O)(O)c1nc2c(-c3ccccc3)cccc2[nH]1.[K+].[OH-]
InChIInChI=1S/C13H10N2O3S.K.H2O/c16-19(17,18)13-14-11-8-4-7-10(12(11)15-13)9-5-2-1-3-6-9;;/h1-8H,(H,14,15)(H,16,17,18);;1H2/q;+1;/p-1
InChIKeyIOJXOCNVUFGVDG-UHFFFAOYSA-M
MW330.41 g/mol
LogP-0.70
Rot. Bonds2

About potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide

potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide (PubChem CID 163653698) has the molecular formula C13H11KN2O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide.

Molecular Properties

Compound Namepotassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide
PubChem CID163653698
Molecular FormulaC13H11KN2O4S
Molecular Weight330.41 g/mol
Exact Mass330.01
IUPAC Namepotassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide
SMILESO=S(=O)(O)c1nc2c(-c3ccccc3)cccc2[nH]1.[K+].[OH-]
InChIInChI=1S/C13H10N2O3S.K.H2O/c16-19(17,18)13-14-11-8-4-7-10(12(11)15-13)9-5-2-1-3-6-9;;/h1-8H,(H,14,15)(H,16,17,18);;1H2/q;+1;/p-1
InChIKeyIOJXOCNVUFGVDG-UHFFFAOYSA-M
XLogP-0.70
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide 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 potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide?
The IUPAC name of potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide (CID 163653698) is potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide.
What is the SMILES notation for potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide?
The canonical SMILES for potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide is O=S(=O)(O)c1nc2c(-c3ccccc3)cccc2[nH]1.[K+].[OH-].
What is the InChIKey of potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide?
The InChIKey is IOJXOCNVUFGVDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10N2O3S.K.H2O/c16-19(17,18)13-14-11-8-4-7-10(12(11)15-13)9-5-2-1-3-6-9;;/h1-8H,(H,14,15)(H,16,17,18);;1H2/q;+1;/p-1.
What are the key properties of potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide?
potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide has a molecular weight of 330.41 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-phenyl-1H-benzimidazole-2-sulfonic acid;hydroxide is sourced from PubChem (CID 163653698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).