2-ethoxy-1-methyl-4,5-dihydroimidazole

C6H12N2O — CID 23255757

IUPAC2-ethoxy-1-methyl-4,5-dihydroimidazole
SMILESCCOC1=NCCN1C
InChIInChI=1S/C6H12N2O/c1-3-9-6-7-4-5-8(6)2/h3-5H2,1-2H3
InChIKeyJTRYNWUIJGJZTI-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.32
Rot. Bonds1

About 2-ethoxy-1-methyl-4,5-dihydroimidazole

2-ethoxy-1-methyl-4,5-dihydroimidazole (PubChem CID 23255757) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethoxy-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-ethoxy-1-methyl-4,5-dihydroimidazole
PubChem CID23255757
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-ethoxy-1-methyl-4,5-dihydroimidazole
SMILESCCOC1=NCCN1C
InChIInChI=1S/C6H12N2O/c1-3-9-6-7-4-5-8(6)2/h3-5H2,1-2H3
InChIKeyJTRYNWUIJGJZTI-UHFFFAOYSA-N
XLogP0.32
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-ethoxy-1-methyl-4,5-dihydroimidazole (CID 23255757) is 2-ethoxy-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-ethoxy-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-ethoxy-1-methyl-4,5-dihydroimidazole is CCOC1=NCCN1C.
What is the InChIKey of 2-ethoxy-1-methyl-4,5-dihydroimidazole?
The InChIKey is JTRYNWUIJGJZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-9-6-7-4-5-8(6)2/h3-5H2,1-2H3.
What are the key properties of 2-ethoxy-1-methyl-4,5-dihydroimidazole?
2-ethoxy-1-methyl-4,5-dihydroimidazole has a molecular weight of 128.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 23255757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).