5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid

C12H10N2O4S — CID 2871507

IUPAC5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid
SMILESCn1c(-c2ccc(S(=O)(=O)O)o2)nc2ccccc21
InChIInChI=1S/C12H10N2O4S/c1-14-9-5-3-2-4-8(9)13-12(14)10-6-7-11(18-10)19(15,16)17/h2-7H,1H3,(H,15,16,17)
InChIKeySRSLUNBLQGBYSD-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.08
Rot. Bonds2

About 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid

5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid (PubChem CID 2871507) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid.

Molecular Properties

Compound Name5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid
PubChem CID2871507
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid
SMILESCn1c(-c2ccc(S(=O)(=O)O)o2)nc2ccccc21
InChIInChI=1S/C12H10N2O4S/c1-14-9-5-3-2-4-8(9)13-12(14)10-6-7-11(18-10)19(15,16)17/h2-7H,1H3,(H,15,16,17)
InChIKeySRSLUNBLQGBYSD-UHFFFAOYSA-N
XLogP2.08
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic 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 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid?
The IUPAC name of 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid (CID 2871507) is 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid.
What is the SMILES notation for 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid?
The canonical SMILES for 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid is Cn1c(-c2ccc(S(=O)(=O)O)o2)nc2ccccc21.
What is the InChIKey of 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid?
The InChIKey is SRSLUNBLQGBYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-14-9-5-3-2-4-8(9)13-12(14)10-6-7-11(18-10)19(15,16)17/h2-7H,1H3,(H,15,16,17).
What are the key properties of 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid?
5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid has a molecular weight of 278.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylbenzimidazol-2-yl)furan-2-sulfonic acid is sourced from PubChem (CID 2871507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).