2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid

C16H20N2O2S — CID 63281220

IUPAC2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
SMILESCc1ccc2c(c1)nc(SCC(=O)O)n2C1CCCC1C
InChIInChI=1S/C16H20N2O2S/c1-10-6-7-14-12(8-10)17-16(21-9-15(19)20)18(14)13-5-3-4-11(13)2/h6-8,11,13H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyAAEUYJLNYOVEAE-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.88
Rot. Bonds4

About 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid

2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid (PubChem CID 63281220) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
PubChem CID63281220
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
SMILESCc1ccc2c(c1)nc(SCC(=O)O)n2C1CCCC1C
InChIInChI=1S/C16H20N2O2S/c1-10-6-7-14-12(8-10)17-16(21-9-15(19)20)18(14)13-5-3-4-11(13)2/h6-8,11,13H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyAAEUYJLNYOVEAE-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-[5-methyl-1-(1-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 64689211
2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 114548316
2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79277603
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-(1-cyclohexyl-5-iodobenzimidazol-2-yl)sulfanylacetic acid
CID 66080161
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43670376
2-[5-methyl-1-(3-methylpentan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 61463776
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-(5-methyl-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 66352164

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid (CID 63281220) is 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid is Cc1ccc2c(c1)nc(SCC(=O)O)n2C1CCCC1C.
What is the InChIKey of 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid?
The InChIKey is AAEUYJLNYOVEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-6-7-14-12(8-10)17-16(21-9-15(19)20)18(14)13-5-3-4-11(13)2/h6-8,11,13H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid?
2-[5-methyl-1-(2-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-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 63281220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).