potassium;3H-benzimidazole-5-sulfonic acid;hydride

C7H7KN2O3S — CID 173083213

IUPACpotassium;3H-benzimidazole-5-sulfonic acid;hydride
SMILESO=S(=O)(O)c1ccc2nc[nH]c2c1.[H-].[K+]
InChIInChI=1S/C7H6N2O3S.K.H/c10-13(11,12)5-1-2-6-7(3-5)9-4-8-6;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1
InChIKeyAYAVRSNAVHJICV-UHFFFAOYSA-N
MW238.31 g/mol
LogP-2.07
Rot. Bonds1

About potassium;3H-benzimidazole-5-sulfonic acid;hydride

potassium;3H-benzimidazole-5-sulfonic acid;hydride (PubChem CID 173083213) has the molecular formula C7H7KN2O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is potassium;3H-benzimidazole-5-sulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;3H-benzimidazole-5-sulfonic acid;hydride
PubChem CID173083213
Molecular FormulaC7H7KN2O3S
Molecular Weight238.31 g/mol
Exact Mass237.98
IUPAC Namepotassium;3H-benzimidazole-5-sulfonic acid;hydride
SMILESO=S(=O)(O)c1ccc2nc[nH]c2c1.[H-].[K+]
InChIInChI=1S/C7H6N2O3S.K.H/c10-13(11,12)5-1-2-6-7(3-5)9-4-8-6;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1
InChIKeyAYAVRSNAVHJICV-UHFFFAOYSA-N
XLogP-2.07
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium;3H-benzimidazole-5-sulfonic acid;hydride with MolForge

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

Launch Full Analysis

Related Compounds

amino 3H-benzimidazole-5-sulfonate
CID 57129072
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
6-(azepan-1-ylsulfonyl)-1H-benzimidazole
CID 110759998
6-nitro-1H-benzimidazole;sulfuric acid
CID 44725885
3H-benzimidazol-5-yl-dimethyl-sulfanyl-λ4-sulfane
CID 91169842
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855215
1-[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110817512
[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone
CID 110817576
sodium 6-sulfo-1H-benzimidazole-4-sulfonate
CID 141120653
7-amino-3H-benzimidazole-5-sulfonic acid
CID 119093071

Frequently Asked Questions

What is the IUPAC name of potassium;3H-benzimidazole-5-sulfonic acid;hydride?
The IUPAC name of potassium;3H-benzimidazole-5-sulfonic acid;hydride (CID 173083213) is potassium;3H-benzimidazole-5-sulfonic acid;hydride.
What is the SMILES notation for potassium;3H-benzimidazole-5-sulfonic acid;hydride?
The canonical SMILES for potassium;3H-benzimidazole-5-sulfonic acid;hydride is O=S(=O)(O)c1ccc2nc[nH]c2c1.[H-].[K+].
What is the InChIKey of potassium;3H-benzimidazole-5-sulfonic acid;hydride?
The InChIKey is AYAVRSNAVHJICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S.K.H/c10-13(11,12)5-1-2-6-7(3-5)9-4-8-6;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1.
What are the key properties of potassium;3H-benzimidazole-5-sulfonic acid;hydride?
potassium;3H-benzimidazole-5-sulfonic acid;hydride has a molecular weight of 238.31 g/mol, XLogP of -2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3H-benzimidazole-5-sulfonic acid;hydride is sourced from PubChem (CID 173083213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).