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

C14H12N2O2S2 — CID 66352164

IUPAC2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCc1ccc2c(c1)nc(SCC(=O)O)n2-c1ccsc1
InChIInChI=1S/C14H12N2O2S2/c1-9-2-3-12-11(6-9)15-14(20-8-13(17)18)16(12)10-4-5-19-7-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyZEMXCADKNMLRPP-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.57
Rot. Bonds4

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

2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 66352164) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID66352164
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCc1ccc2c(c1)nc(SCC(=O)O)n2-c1ccsc1
InChIInChI=1S/C14H12N2O2S2/c1-9-2-3-12-11(6-9)15-14(20-8-13(17)18)16(12)10-4-5-19-7-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyZEMXCADKNMLRPP-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-iodo-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 66352612
2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 103592583
2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 66351948
2-[1-(2,2-difluoroethyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 115407781
2-[1-(2,3-dimethylbutyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 64599412
2-[1-(2-amino-2-oxoethyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 43661232
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43670376
2-[1-(3-methoxy-3-oxopropyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 61294074
2-[(5-phenyl-4-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 66349975
2-[5-methyl-1-(1-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 64689211
2-[5-methyl-1-(3-methylpentan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 61463776
2-[1-[1-(dimethylamino)propan-2-yl]-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 82940267

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid (CID 66352164) is 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid is Cc1ccc2c(c1)nc(SCC(=O)O)n2-c1ccsc1.
What is the InChIKey of 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is ZEMXCADKNMLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-9-2-3-12-11(6-9)15-14(20-8-13(17)18)16(12)10-4-5-19-7-10/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid?
2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 304.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 66352164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).