tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate

C12H20N2O3 — CID 126692137

IUPACtert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate
SMILESCCOc1nc(C)c(C)n1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-7-16-10-13-8(2)9(3)14(10)11(15)17-12(4,5)6/h7H2,1-6H3
InChIKeySUBFBCBOYFIUEH-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.68
Rot. Bonds2

About tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate

tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate (PubChem CID 126692137) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate
PubChem CID126692137
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate
SMILESCCOc1nc(C)c(C)n1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-7-16-10-13-8(2)9(3)14(10)11(15)17-12(4,5)6/h7H2,1-6H3
InChIKeySUBFBCBOYFIUEH-UHFFFAOYSA-N
XLogP2.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 5-(difluoromethyl)-4-methylimidazole-1-carboxylate
CID 134531444
2,5-Diamino-4-cyano-imidazole-1-carboxylic acid, t-butyl ester
CID 546351
2-Amino-1-n-butoxycarbonyl-4,5-dicyanoimidazole
CID 10220273
1-Boc-4-iodo-5-methylimidazole
CID 21224508
2-Amino-1-ethoxycarbonyl-4,5-dicyanoimidazole
CID 21510431
Methyl 2,4,5-trimethylimidazole-1-carboxylate
CID 59932873
Tert-butyl 5-(aminomethyl)-2,4-dimethylimidazole-1-carboxylate
CID 67602395
Oxiran-2-ylmethyl 2,4,5-trimethylimidazole-1-carboxylate
CID 88869425
Tert-butyl 2-ethoxy-5-ethyl-4-methylimidazole-1-carboxylate
CID 126692369
Tert-butyl 5-ethenyl-2-ethoxy-4-methylimidazole-1-carboxylate
CID 126692404
tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate
CID 139556497
tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate
CID 158179634

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate (CID 126692137) is tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate is CCOc1nc(C)c(C)n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate?
The InChIKey is SUBFBCBOYFIUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-16-10-13-8(2)9(3)14(10)11(15)17-12(4,5)6/h7H2,1-6H3.
What are the key properties of tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate?
tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethoxy-4,5-dimethylimidazole-1-carboxylate is sourced from PubChem (CID 126692137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).