1-ethylbenzimidazole-2-sulfonic acid

C9H10N2O3S — CID 2772526

IUPAC1-ethylbenzimidazole-2-sulfonic acid
SMILESCCn1c(S(=O)(=O)O)nc2ccccc21
InChIInChI=1S/C9H10N2O3S/c1-2-11-8-6-4-3-5-7(8)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyCPFYRNMZRZTXRQ-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.30
Rot. Bonds2

About 1-ethylbenzimidazole-2-sulfonic acid

1-ethylbenzimidazole-2-sulfonic acid (PubChem CID 2772526) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-ethylbenzimidazole-2-sulfonic acid.

Molecular Properties

Compound Name1-ethylbenzimidazole-2-sulfonic acid
PubChem CID2772526
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name1-ethylbenzimidazole-2-sulfonic acid
SMILESCCn1c(S(=O)(=O)O)nc2ccccc21
InChIInChI=1S/C9H10N2O3S/c1-2-11-8-6-4-3-5-7(8)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyCPFYRNMZRZTXRQ-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylbenzimidazole-2-sulfonic acid?
The IUPAC name of 1-ethylbenzimidazole-2-sulfonic acid (CID 2772526) is 1-ethylbenzimidazole-2-sulfonic acid.
What is the SMILES notation for 1-ethylbenzimidazole-2-sulfonic acid?
The canonical SMILES for 1-ethylbenzimidazole-2-sulfonic acid is CCn1c(S(=O)(=O)O)nc2ccccc21.
What is the InChIKey of 1-ethylbenzimidazole-2-sulfonic acid?
The InChIKey is CPFYRNMZRZTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-2-11-8-6-4-3-5-7(8)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 1-ethylbenzimidazole-2-sulfonic acid?
1-ethylbenzimidazole-2-sulfonic acid has a molecular weight of 226.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbenzimidazole-2-sulfonic acid is sourced from PubChem (CID 2772526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).