2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid

C13H20N2O2S — CID 54955286

IUPAC2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid
SMILESCCC1CCCCC1n1ccnc1SCC(=O)O
InChIInChI=1S/C13H20N2O2S/c1-2-10-5-3-4-6-11(10)15-8-7-14-13(15)18-9-12(16)17/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)
InChIKeyYNEBRHOZPCPGOC-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid

2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 54955286) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid
PubChem CID54955286
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid
SMILESCCC1CCCCC1n1ccnc1SCC(=O)O
InChIInChI=1S/C13H20N2O2S/c1-2-10-5-3-4-6-11(10)15-8-7-14-13(15)18-9-12(16)17/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)
InChIKeyYNEBRHOZPCPGOC-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-ethylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 54955490
2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid
CID 62087359
2-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 61221455
2-[[4-(2-ethylcyclohexyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61469912
2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585437
2-[1-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid
CID 103967461
2-[1-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-2-yl]sulfanylacetic acid
CID 63318633
2-[1-(6-oxopiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 63663393
N-cyclopropyl-1-(2-ethylcyclohexyl)imidazol-2-amine
CID 106568167
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
2-[1-(thian-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 80612664
2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid
CID 29063800

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid (CID 54955286) is 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid is CCC1CCCCC1n1ccnc1SCC(=O)O.
What is the InChIKey of 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is YNEBRHOZPCPGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-10-5-3-4-6-11(10)15-8-7-14-13(15)18-9-12(16)17/h7-8,10-11H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid?
2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 268.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 54955286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).