2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid

C11H11FN2O2S — CID 103592548

IUPAC2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCc1cc2c(cc1F)nc(SCC(=O)O)n2C
InChIInChI=1S/C11H11FN2O2S/c1-6-3-9-8(4-7(6)12)13-11(14(9)2)17-5-10(15)16/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyGCVXKTUTTVBLBK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.20
Rot. Bonds3

About 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid

2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 103592548) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID103592548
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCc1cc2c(cc1F)nc(SCC(=O)O)n2C
InChIInChI=1S/C11H11FN2O2S/c1-6-3-9-8(4-7(6)12)13-11(14(9)2)17-5-10(15)16/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyGCVXKTUTTVBLBK-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 103592566
2-[5-fluoro-6-methyl-1-[(E)-pent-3-enyl]benzimidazol-2-yl]sulfanylacetic acid
CID 103592589
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245
2-[5-fluoro-1-(2-methoxypropyl)-6-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 103592601
2-(5-fluoro-6-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 103592583
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 84617334
N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide
CID 171443105
2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid
CID 83842413
2-(3,5,6-trimethyl-4-oxopyrrolo[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 83814197

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid (CID 103592548) is 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid is Cc1cc2c(cc1F)nc(SCC(=O)O)n2C.
What is the InChIKey of 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is GCVXKTUTTVBLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-6-3-9-8(4-7(6)12)13-11(14(9)2)17-5-10(15)16/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid?
2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 254.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 103592548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).