4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid

C15H24N2O2 — CID 114532598

IUPAC4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(CCc2nccn2C)(C(=O)O)CC1
InChIInChI=1S/C15H24N2O2/c1-3-12-4-7-15(8-5-12,14(18)19)9-6-13-16-10-11-17(13)2/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyPFZORTJYHUWJCX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.02
Rot. Bonds5

About 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid

4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid (PubChem CID 114532598) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
PubChem CID114532598
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(CCc2nccn2C)(C(=O)O)CC1
InChIInChI=1S/C15H24N2O2/c1-3-12-4-7-15(8-5-12,14(18)19)9-6-13-16-10-11-17(13)2/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyPFZORTJYHUWJCX-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
2-[2-(1-methylimidazol-2-yl)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 114532607
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
CID 114529248
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 114529396
3-[2-(1-methylimidazol-2-yl)ethyl]-2,4-dihydrochromene-3-carboxylic acid
CID 114532606
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530310
4-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 81021464
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid (CID 114532598) is 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid is CCC1CCC(CCc2nccn2C)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is PFZORTJYHUWJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12-4-7-15(8-5-12,14(18)19)9-6-13-16-10-11-17(13)2/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid?
4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114532598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).