ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate

C14H23N3O3 — CID 63827252

IUPACethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCOC2CCCCC2)c1N
InChIInChI=1S/C14H23N3O3/c1-2-19-14(18)12-13(15)17(10-16-12)8-9-20-11-6-4-3-5-7-11/h10-11H,2-9,15H2,1H3
InChIKeyZFEWIAPIRVKPSS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.99
Rot. Bonds6

About ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate

ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate (PubChem CID 63827252) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate
PubChem CID63827252
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCOC2CCCCC2)c1N
InChIInChI=1S/C14H23N3O3/c1-2-19-14(18)12-13(15)17(10-16-12)8-9-20-11-6-4-3-5-7-11/h10-11H,2-9,15H2,1H3
InChIKeyZFEWIAPIRVKPSS-UHFFFAOYSA-N
XLogP1.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate (CID 63827252) is ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate is CCOC(=O)c1ncn(CCOC2CCCCC2)c1N.
What is the InChIKey of ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate?
The InChIKey is ZFEWIAPIRVKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-19-14(18)12-13(15)17(10-16-12)8-9-20-11-6-4-3-5-7-11/h10-11H,2-9,15H2,1H3.
What are the key properties of ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate?
ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate is sourced from PubChem (CID 63827252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).