ethyl 1-tert-butylimidazole-2-carboxylate

C10H16N2O2 — CID 132990489

IUPACethyl 1-tert-butylimidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-5-14-9(13)8-11-6-7-12(8)10(2,3)4/h6-7H,5H2,1-4H3
InChIKeyJWCQEASLKGLFGQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.81
Rot. Bonds2

About ethyl 1-tert-butylimidazole-2-carboxylate

ethyl 1-tert-butylimidazole-2-carboxylate (PubChem CID 132990489) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 1-tert-butylimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-tert-butylimidazole-2-carboxylate
PubChem CID132990489
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 1-tert-butylimidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-5-14-9(13)8-11-6-7-12(8)10(2,3)4/h6-7H,5H2,1-4H3
InChIKeyJWCQEASLKGLFGQ-UHFFFAOYSA-N
XLogP1.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-tert-butylimidazole-2-carboxylate?
The IUPAC name of ethyl 1-tert-butylimidazole-2-carboxylate (CID 132990489) is ethyl 1-tert-butylimidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-tert-butylimidazole-2-carboxylate?
The canonical SMILES for ethyl 1-tert-butylimidazole-2-carboxylate is CCOC(=O)c1nccn1C(C)(C)C.
What is the InChIKey of ethyl 1-tert-butylimidazole-2-carboxylate?
The InChIKey is JWCQEASLKGLFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-14-9(13)8-11-6-7-12(8)10(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 1-tert-butylimidazole-2-carboxylate?
ethyl 1-tert-butylimidazole-2-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-tert-butylimidazole-2-carboxylate is sourced from PubChem (CID 132990489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).