2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid

C16H20N2O2S — CID 114548316

IUPAC2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
SMILESCc1ccc2nc(SCC(=O)O)n(C3CCC(C)C3)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-3-5-12(7-10)18-14-8-11(2)4-6-13(14)17-16(18)21-9-15(19)20/h4,6,8,10,12H,3,5,7,9H2,1-2H3,(H,19,20)
InChIKeyCZNDAQUZAPJXQF-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.88
Rot. Bonds4

About 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid

2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid (PubChem CID 114548316) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
PubChem CID114548316
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
SMILESCc1ccc2nc(SCC(=O)O)n(C3CCC(C)C3)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-3-5-12(7-10)18-14-8-11(2)4-6-13(14)17-16(18)21-9-15(19)20/h4,6,8,10,12H,3,5,7,9H2,1-2H3,(H,19,20)
InChIKeyCZNDAQUZAPJXQF-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271892
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 63281220
2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549178
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169
2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 113475637
6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
2-[1-(2-methoxy-2-methylpropyl)-6-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 104763095
2-[6-fluoro-1-(5-oxopyrrolidin-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 106188712
2-[1-(2,3-dimethylbutyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 64599412

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid (CID 114548316) is 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid is Cc1ccc2nc(SCC(=O)O)n(C3CCC(C)C3)c2c1.
What is the InChIKey of 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid?
The InChIKey is CZNDAQUZAPJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-3-5-12(7-10)18-14-8-11(2)4-6-13(14)17-16(18)21-9-15(19)20/h4,6,8,10,12H,3,5,7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid?
2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid has a molecular weight of 304.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 114548316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).