2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid

C14H11FN2O2S2 — CID 103592583

IUPAC2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCc1cc2c(cc1F)nc(SCC(=O)O)n2-c1ccsc1
InChIInChI=1S/C14H11FN2O2S2/c1-8-4-12-11(5-10(8)15)16-14(21-7-13(18)19)17(12)9-2-3-20-6-9/h2-6H,7H2,1H3,(H,18,19)
InChIKeyQZZQBWLWYFVSSA-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.71
Rot. Bonds4

About 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid

2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 103592583) has the molecular formula C14H11FN2O2S2 and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID103592583
Molecular FormulaC14H11FN2O2S2
Molecular Weight322.39 g/mol
Exact Mass322.02
IUPAC Name2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCc1cc2c(cc1F)nc(SCC(=O)O)n2-c1ccsc1
InChIInChI=1S/C14H11FN2O2S2/c1-8-4-12-11(5-10(8)15)16-14(21-7-13(18)19)17(12)9-2-3-20-6-9/h2-6H,7H2,1H3,(H,18,19)
InChIKeyQZZQBWLWYFVSSA-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 66352164
2-(5-iodo-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 66352612
2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 66351948
2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid
CID 103592548
2-[5-fluoro-6-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 103592566
2-[1-[2-(dimethylamino)ethyl]-5-fluoro-6-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 103592549
2-[5-fluoro-6-methyl-1-(3-methylsulfanylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 103592581
2-[5-fluoro-6-methyl-1-[(E)-pent-3-enyl]benzimidazol-2-yl]sulfanylacetic acid
CID 103592589
2-[5-fluoro-1-(2-methoxypropyl)-6-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 103592601
2-[(5-phenyl-4-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 66349975
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245
2-[5-iodo-1-(1-methylpyrazol-4-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 79781379

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid (CID 103592583) is 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid is Cc1cc2c(cc1F)nc(SCC(=O)O)n2-c1ccsc1.
What is the InChIKey of 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is QZZQBWLWYFVSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S2/c1-8-4-12-11(5-10(8)15)16-14(21-7-13(18)19)17(12)9-2-3-20-6-9/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 322.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 103592583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).