2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid

C14H22N2O2S — CID 81343968

IUPAC2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
SMILESCCc1cnc(SCC(=O)O)n1C(C)C1CCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-12-8-15-14(19-9-13(17)18)16(12)10(2)11-6-4-5-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyOCNXSLROLDUNQW-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.37
Rot. Bonds6

About 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid

2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid (PubChem CID 81343968) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
PubChem CID81343968
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
SMILESCCc1cnc(SCC(=O)O)n1C(C)C1CCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-12-8-15-14(19-9-13(17)18)16(12)10(2)11-6-4-5-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyOCNXSLROLDUNQW-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-cyclopropylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81337058
2-(1-cyclohexyl-5-ethylimidazol-2-yl)sulfanylacetic acid
CID 81337465
2-[5-ethyl-1-(1-methoxy-3-methyl-1-oxobutan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 81336396
2-[[4-(1-cyclohexylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 62405251
2-[5-ethyl-1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 81345387
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81345223
2-(1-cyclobutyl-5-propan-2-ylimidazol-2-yl)sulfanylacetic acid
CID 64863584
2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 81336894
2-[5-ethyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 81344286
2-[[4-(1-cyclopropylethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 62897481
2-(1-hexan-3-yl-5-propan-2-ylimidazol-2-yl)sulfanylacetic acid
CID 64863206
2-[5-propan-2-yl-1-(1-pyridin-2-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 64864936

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid (CID 81343968) is 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid is CCc1cnc(SCC(=O)O)n1C(C)C1CCCC1.
What is the InChIKey of 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid?
The InChIKey is OCNXSLROLDUNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-12-8-15-14(19-9-13(17)18)16(12)10(2)11-6-4-5-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid?
2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid has a molecular weight of 282.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 81343968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).