4-ethoxy-1-methylimidazole

C6H10N2O — CID 57213899

IUPAC4-ethoxy-1-methylimidazole
SMILESCCOc1cn(C)cn1
InChIInChI=1S/C6H10N2O/c1-3-9-6-4-8(2)5-7-6/h4-5H,3H2,1-2H3
InChIKeyJZRFBXFRNNAJFB-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.82
Rot. Bonds2

About 4-ethoxy-1-methylimidazole

4-ethoxy-1-methylimidazole (PubChem CID 57213899) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-ethoxy-1-methylimidazole.

Molecular Properties

Compound Name4-ethoxy-1-methylimidazole
PubChem CID57213899
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-ethoxy-1-methylimidazole
SMILESCCOc1cn(C)cn1
InChIInChI=1S/C6H10N2O/c1-3-9-6-4-8(2)5-7-6/h4-5H,3H2,1-2H3
InChIKeyJZRFBXFRNNAJFB-UHFFFAOYSA-N
XLogP0.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-1H-imidazole
CID 14366840
4-Ethoxy-1H-imidazole
CID 49757967
1-(2-Methoxyethyl)-3-methylimidazol-3-ium
CID 9834419
4-[[Bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride
CID 54261761
1-[4-(2,2,2-Trifluoroethoxy)imidazol-1-yl]ethanone
CID 91091809
1-Bromo-4-(2,2,2-trifluoroethoxy)imidazole
CID 91251218
1,2-Dimethyl-5-(trifluoromethoxy)imidazole
CID 118466146
1,2-Dimethyl-4-(trifluoromethoxy)imidazole
CID 118466330
1-Methyl-4-(trifluoromethoxy)imidazole
CID 123263183
1-Methyl-5-(trifluoromethoxy)imidazole
CID 123853804
N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine
CID 175549267
N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine
CID 175549302

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methylimidazole?
The IUPAC name of 4-ethoxy-1-methylimidazole (CID 57213899) is 4-ethoxy-1-methylimidazole.
What is the SMILES notation for 4-ethoxy-1-methylimidazole?
The canonical SMILES for 4-ethoxy-1-methylimidazole is CCOc1cn(C)cn1.
What is the InChIKey of 4-ethoxy-1-methylimidazole?
The InChIKey is JZRFBXFRNNAJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-9-6-4-8(2)5-7-6/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethoxy-1-methylimidazole?
4-ethoxy-1-methylimidazole has a molecular weight of 126.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methylimidazole is sourced from PubChem (CID 57213899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).