ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate

C14H22N2O2 — CID 114203724

IUPACethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(C(C)C2CCCCC2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-18-14(17)13-9-16(10-15-13)11(2)12-7-5-4-6-8-12/h9-12H,3-8H2,1-2H3
InChIKeyQTXIHAURVZVKRA-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.20
Rot. Bonds4

About ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate

ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate (PubChem CID 114203724) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate
PubChem CID114203724
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(C(C)C2CCCCC2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-18-14(17)13-9-16(10-15-13)11(2)12-7-5-4-6-8-12/h9-12H,3-8H2,1-2H3
InChIKeyQTXIHAURVZVKRA-UHFFFAOYSA-N
XLogP3.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate (CID 114203724) is ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate is CCOC(=O)c1cn(C(C)C2CCCCC2)cn1.
What is the InChIKey of ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate?
The InChIKey is QTXIHAURVZVKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-14(17)13-9-16(10-15-13)11(2)12-7-5-4-6-8-12/h9-12H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate?
ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate is sourced from PubChem (CID 114203724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).