2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid

C10H9FN2O2S — CID 43661245

IUPAC2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCn1c(SCC(=O)O)nc2cc(F)ccc21
InChIInChI=1S/C10H9FN2O2S/c1-13-8-3-2-6(11)4-7(8)12-10(13)16-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyMTIPSRKWZAXIBV-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.89
Rot. Bonds3

About 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid

2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 43661245) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID43661245
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCn1c(SCC(=O)O)nc2cc(F)ccc21
InChIInChI=1S/C10H9FN2O2S/c1-13-8-3-2-6(11)4-7(8)12-10(13)16-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyMTIPSRKWZAXIBV-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid 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

2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 84617334
2-[1-(1-cyclopropylethyl)-5-fluorobenzimidazol-2-yl]sulfanylacetic acid
CID 43661385
2-[5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 43661349
2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid
CID 103592548
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
2-[1-(2-acetamidoethyl)-6-fluorobenzimidazol-2-yl]sulfanylacetic acid
CID 62376716
2-[6-fluoro-1-(3-methylpentan-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 106330052
2-[1-(2,2-difluoroethyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 115407781
2-[1-[1-(dimethylamino)propan-2-yl]-6-fluorobenzimidazol-2-yl]sulfanylacetic acid
CID 82940270
3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid
CID 82310169
2-[1-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81343102

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid (CID 43661245) is 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid is Cn1c(SCC(=O)O)nc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is MTIPSRKWZAXIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-13-8-3-2-6(11)4-7(8)12-10(13)16-5-9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid?
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 240.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 43661245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).