4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid

C12H18N2O3 — CID 114451021

IUPAC4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCCn2ccnc2)CC1
InChIInChI=1S/C12H18N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h5-6,9-11H,1-4,7-8H2,(H,15,16)
InChIKeyQSCSILUWAXJGOJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.54
Rot. Bonds5

About 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid

4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid (PubChem CID 114451021) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid
PubChem CID114451021
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCCn2ccnc2)CC1
InChIInChI=1S/C12H18N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h5-6,9-11H,1-4,7-8H2,(H,15,16)
InChIKeyQSCSILUWAXJGOJ-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 60810197
[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol
CID 106825588
3-(2-imidazol-1-ylethoxy)piperidine
CID 106937689
3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane
CID 70846828
[2-(2-imidazol-1-ylethoxy)cyclopentyl]methanamine
CID 106938384
1-(13-ethoxytridecyl)imidazole
CID 145255635
5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine
CID 62074285
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-imidazol-1-ylethanol
CID 159023310
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid
CID 60846258

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid (CID 114451021) is 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OCCn2ccnc2)CC1.
What is the InChIKey of 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is QSCSILUWAXJGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h5-6,9-11H,1-4,7-8H2,(H,15,16).
What are the key properties of 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid?
4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).