2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid

C7H6N2O4S — CID 3149146

IUPAC2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid
SMILESO=c1[nH]c2ccc(S(=O)(=O)O)cc2[nH]1
InChIInChI=1S/C7H6N2O4S/c10-7-8-5-2-1-4(14(11,12)13)3-6(5)9-7/h1-3H,(H2,8,9,10)(H,11,12,13)
InChIKeyIZLICCOPSQZBAZ-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.10
Rot. Bonds1

About 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid

2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid (PubChem CID 3149146) has the molecular formula C7H6N2O4S and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid.

Molecular Properties

Compound Name2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid
PubChem CID3149146
Molecular FormulaC7H6N2O4S
Molecular Weight214.20 g/mol
Exact Mass214.00
IUPAC Name2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid
SMILESO=c1[nH]c2ccc(S(=O)(=O)O)cc2[nH]1
InChIInChI=1S/C7H6N2O4S/c10-7-8-5-2-1-4(14(11,12)13)3-6(5)9-7/h1-3H,(H2,8,9,10)(H,11,12,13)
InChIKeyIZLICCOPSQZBAZ-UHFFFAOYSA-N
XLogP0.10
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt (1:1)
CID 3745949
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 719684
1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
CID 2055845
N-(4-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}phenyl)acetamide
CID 2956331
5-(Pyrrolidine-1-sulfonyl)-1,3-dihydro-benzoimidazol-2-one
CID 893000
N-methyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2957874
N,N-diethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 787615
N-ethyl-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2226213
N-(2-hydroxyethyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2299075
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride
CID 3159944

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid?
The IUPAC name of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid (CID 3149146) is 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid.
What is the SMILES notation for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid?
The canonical SMILES for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid is O=c1[nH]c2ccc(S(=O)(=O)O)cc2[nH]1.
What is the InChIKey of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid?
The InChIKey is IZLICCOPSQZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4S/c10-7-8-5-2-1-4(14(11,12)13)3-6(5)9-7/h1-3H,(H2,8,9,10)(H,11,12,13).
What are the key properties of 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid?
2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid has a molecular weight of 214.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid is sourced from PubChem (CID 3149146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).