2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole

C12H18N4O — CID 174771426

IUPAC2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole
SMILESCCc1nc(C)cn1On1cc(C)nc1CC
InChIInChI=1S/C12H18N4O/c1-5-11-13-9(3)7-15(11)17-16-8-10(4)14-12(16)6-2/h7-8H,5-6H2,1-4H3
InChIKeyFHWXWCXEWUAZHL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.71
Rot. Bonds4

About 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole

2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole (PubChem CID 174771426) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole.

Molecular Properties

Compound Name2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole
PubChem CID174771426
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole
SMILESCCc1nc(C)cn1On1cc(C)nc1CC
InChIInChI=1S/C12H18N4O/c1-5-11-13-9(3)7-15(11)17-16-8-10(4)14-12(16)6-2/h7-8H,5-6H2,1-4H3
InChIKeyFHWXWCXEWUAZHL-UHFFFAOYSA-N
XLogP1.71
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole?
The IUPAC name of 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole (CID 174771426) is 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole.
What is the SMILES notation for 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole?
The canonical SMILES for 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole is CCc1nc(C)cn1On1cc(C)nc1CC.
What is the InChIKey of 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole?
The InChIKey is FHWXWCXEWUAZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-5-11-13-9(3)7-15(11)17-16-8-10(4)14-12(16)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole?
2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole has a molecular weight of 234.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethyl-4-methylimidazol-1-yl)oxy-4-methylimidazole is sourced from PubChem (CID 174771426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).