2-ethoxy-1H-imidazole

C5H8N2O — CID 14947257

IUPAC2-ethoxy-1H-imidazole
SMILESCCOc1ncc[nH]1
InChIInChI=1S/C5H8N2O/c1-2-8-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKeyOLXMODWSCGZHKO-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.81
Rot. Bonds2

About 2-ethoxy-1H-imidazole

2-ethoxy-1H-imidazole (PubChem CID 14947257) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-ethoxy-1H-imidazole.

Molecular Properties

Compound Name2-ethoxy-1H-imidazole
PubChem CID14947257
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-ethoxy-1H-imidazole
SMILESCCOc1ncc[nH]1
InChIInChI=1S/C5H8N2O/c1-2-8-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKeyOLXMODWSCGZHKO-UHFFFAOYSA-N
XLogP0.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1H-imidazole?
The IUPAC name of 2-ethoxy-1H-imidazole (CID 14947257) is 2-ethoxy-1H-imidazole.
What is the SMILES notation for 2-ethoxy-1H-imidazole?
The canonical SMILES for 2-ethoxy-1H-imidazole is CCOc1ncc[nH]1.
What is the InChIKey of 2-ethoxy-1H-imidazole?
The InChIKey is OLXMODWSCGZHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-8-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7).
What are the key properties of 2-ethoxy-1H-imidazole?
2-ethoxy-1H-imidazole has a molecular weight of 112.13 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1H-imidazole is sourced from PubChem (CID 14947257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).