tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate

C11H18N2O2 — CID 59476393

IUPACtert-butyl 5-ethyl-2-methylimidazole-1-carboxylate
SMILESCCc1cnc(C)n1C(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-6-9-7-12-8(2)13(9)10(14)15-11(3,4)5/h7H,6H2,1-5H3
InChIKeyWNQSVUIHZNJHOE-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.54
Rot. Bonds1

About tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate

tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate (PubChem CID 59476393) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethyl-2-methylimidazole-1-carboxylate
PubChem CID59476393
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nametert-butyl 5-ethyl-2-methylimidazole-1-carboxylate
SMILESCCc1cnc(C)n1C(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-6-9-7-12-8(2)13(9)10(14)15-11(3,4)5/h7H,6H2,1-5H3
InChIKeyWNQSVUIHZNJHOE-UHFFFAOYSA-N
XLogP2.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 3-O-ethyl 2-bromo-5-ethylpyrrole-1,3-dicarboxylate
CID 170683440
tert-butyl 2-ethyl-4-formyl-5-methylimidazole-1-carboxylate
CID 58592777
tert-butyl 6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 163817292
tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
CID 143547748
tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate
CID 15169099
tert-butyl 2,5-dichloro-3-methylpyrrole-1-carboxylate
CID 139840186
tert-butyl 3-(hydroxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 71305919
tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate
CID 58592754
tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate
CID 130115493
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
tert-butyl 2-cyclopropyl-5-formylimidazole-1-carboxylate
CID 139558422
tert-butyl 2-formylimidazole-1-carboxylate
CID 23138513

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate?
The IUPAC name of tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate (CID 59476393) is tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate is CCc1cnc(C)n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate?
The InChIKey is WNQSVUIHZNJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6-9-7-12-8(2)13(9)10(14)15-11(3,4)5/h7H,6H2,1-5H3.
What are the key properties of tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate?
tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate is sourced from PubChem (CID 59476393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).