ethyl 2-ethyl-4-methylimidazole-1-carboxylate

C9H14N2O2 — CID 15557014

IUPACethyl 2-ethyl-4-methylimidazole-1-carboxylate
SMILESCCOC(=O)n1cc(C)nc1CC
InChIInChI=1S/C9H14N2O2/c1-4-8-10-7(3)6-11(8)9(12)13-5-2/h6H,4-5H2,1-3H3
InChIKeyWIMBPYYXLLIMEZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.76
Rot. Bonds2

About ethyl 2-ethyl-4-methylimidazole-1-carboxylate

ethyl 2-ethyl-4-methylimidazole-1-carboxylate (PubChem CID 15557014) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 2-ethyl-4-methylimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-methylimidazole-1-carboxylate
PubChem CID15557014
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl 2-ethyl-4-methylimidazole-1-carboxylate
SMILESCCOC(=O)n1cc(C)nc1CC
InChIInChI=1S/C9H14N2O2/c1-4-8-10-7(3)6-11(8)9(12)13-5-2/h6H,4-5H2,1-3H3
InChIKeyWIMBPYYXLLIMEZ-UHFFFAOYSA-N
XLogP1.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065558
1,1,3-Trimethyl-3-[4-(5-methylimidazol-1-yl)but-2-ynyl]urea
CID 15065574
ethyl 2-(4-methyl-1H-imidazol-1-yl)acetate
CID 237336
methyl N-[4-(5-methylimidazol-1-yl)but-2-ynyl]carbamate
CID 15065562
methyl N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]carbamate
CID 15065564
methyl N-methyl-N-[5-(5-methylimidazol-1-yl)pent-3-yn-2-yl]carbamate
CID 15065566
ethyl N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]carbamate
CID 15065568
ethyl N-methyl-N-[5-(5-methylimidazol-1-yl)pent-3-yn-2-yl]carbamate
CID 15065570
3-[4-(5-Methylimidazol-1-yl)but-2-ynyl]-1,3-oxazolidin-2-one
CID 15065572
(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
CID 71716729
Tert-butyl 4-(hydroxymethyl)-1H-imidazole-1-carboxylate
CID 11629781
1,4-Dimethyl-1H-imidazole-2-carbaldehyde
CID 28951040

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-methylimidazole-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-methylimidazole-1-carboxylate (CID 15557014) is ethyl 2-ethyl-4-methylimidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-methylimidazole-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-methylimidazole-1-carboxylate is CCOC(=O)n1cc(C)nc1CC.
What is the InChIKey of ethyl 2-ethyl-4-methylimidazole-1-carboxylate?
The InChIKey is WIMBPYYXLLIMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-8-10-7(3)6-11(8)9(12)13-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-4-methylimidazole-1-carboxylate?
ethyl 2-ethyl-4-methylimidazole-1-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-methylimidazole-1-carboxylate is sourced from PubChem (CID 15557014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).