tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate

C13H22N2O3 — CID 58592754

IUPACtert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate
SMILESCCc1nc(C(C)O)c(C)n1C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O3/c1-7-10-14-11(9(3)16)8(2)15(10)12(17)18-13(4,5)6/h9,16H,7H2,1-6H3
InChIKeyCYCYAQPHCRCAMF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate

tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate (PubChem CID 58592754) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate
PubChem CID58592754
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate
SMILESCCc1nc(C(C)O)c(C)n1C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O3/c1-7-10-14-11(9(3)16)8(2)15(10)12(17)18-13(4,5)6/h9,16H,7H2,1-6H3
InChIKeyCYCYAQPHCRCAMF-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-ethyl-4-formyl-5-methylimidazole-1-carboxylate
CID 58592777
tert-butyl 2-ethyl-5-(2-methylpropyl)-4-oxoimidazo[4,5-c]pyridine-1-carboxylate
CID 71521590
tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate
CID 130115493
tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate
CID 59476393
tert-butyl 5-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-carboxylate
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CID 165371899
tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate
CID 15169099
tert-butyl 4,6-dimethyl-2-sulfanylidene-[1,3]diselenolo[4,5-c]pyrrole-5-carboxylate
CID 54754240
tert-butyl 5-chloro-3-ethylpyrrolo[3,2-b]pyridine-1-carboxylate
CID 123936275
tert-butyl 2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzimidazole-1-carboxylate
CID 22100861
tert-butyl 3-bromo-4-cyano-2,5-dimethylpyrrole-1-carboxylate;ethane
CID 143243745
CID 153399786
CID 153399786

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate (CID 58592754) is tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate is CCc1nc(C(C)O)c(C)n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate?
The InChIKey is CYCYAQPHCRCAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-7-10-14-11(9(3)16)8(2)15(10)12(17)18-13(4,5)6/h9,16H,7H2,1-6H3.
What are the key properties of tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate?
tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate is sourced from PubChem (CID 58592754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).