2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid

C13H20N2O2S — CID 81337465

IUPAC2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid
SMILESCCc1cnc(SCC(=O)O)n1C1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-2-10-8-14-13(18-9-12(16)17)15(10)11-6-4-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,16,17)
InChIKeyAZJBWTUXFOOEIP-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.13
Rot. Bonds5

About 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid

2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid (PubChem CID 81337465) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid
PubChem CID81337465
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid
SMILESCCc1cnc(SCC(=O)O)n1C1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-2-10-8-14-13(18-9-12(16)17)15(10)11-6-4-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,16,17)
InChIKeyAZJBWTUXFOOEIP-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclobutyl-5-propan-2-ylimidazol-2-yl)sulfanylacetic acid
CID 64863584
2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81343968
2-[1-(1-cyclopropylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81337058
2-[(4-cyclooctyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 29074587
2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 11808582
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
2-[5-tert-butyl-1-(oxan-4-yl)imidazol-2-yl]sulfanylacetic acid
CID 81336706
2-[5-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 81336546
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 3290475
2-[1-(2-chloro-6-methylphenyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81343707
2-[1-(4-chloro-2-fluorophenyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81337231

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid (CID 81337465) is 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid is CCc1cnc(SCC(=O)O)n1C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid?
The InChIKey is AZJBWTUXFOOEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-10-8-14-13(18-9-12(16)17)15(10)11-6-4-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid?
2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid has a molecular weight of 268.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 81337465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).