5-ethoxy-2-ethyl-1H-imidazole

C7H12N2O — CID 22909640

IUPAC5-ethoxy-2-ethyl-1H-imidazole
SMILESCCOc1cnc(CC)[nH]1
InChIInChI=1S/C7H12N2O/c1-3-6-8-5-7(9-6)10-4-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyNVWOBOOOLSUYMY-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.37
Rot. Bonds3

About 5-ethoxy-2-ethyl-1H-imidazole

5-ethoxy-2-ethyl-1H-imidazole (PubChem CID 22909640) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-ethoxy-2-ethyl-1H-imidazole.

Molecular Properties

Compound Name5-ethoxy-2-ethyl-1H-imidazole
PubChem CID22909640
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-ethoxy-2-ethyl-1H-imidazole
SMILESCCOc1cnc(CC)[nH]1
InChIInChI=1S/C7H12N2O/c1-3-6-8-5-7(9-6)10-4-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyNVWOBOOOLSUYMY-UHFFFAOYSA-N
XLogP1.37
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethyl-1H-imidazole?
The IUPAC name of 5-ethoxy-2-ethyl-1H-imidazole (CID 22909640) is 5-ethoxy-2-ethyl-1H-imidazole.
What is the SMILES notation for 5-ethoxy-2-ethyl-1H-imidazole?
The canonical SMILES for 5-ethoxy-2-ethyl-1H-imidazole is CCOc1cnc(CC)[nH]1.
What is the InChIKey of 5-ethoxy-2-ethyl-1H-imidazole?
The InChIKey is NVWOBOOOLSUYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6-8-5-7(9-6)10-4-2/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 5-ethoxy-2-ethyl-1H-imidazole?
5-ethoxy-2-ethyl-1H-imidazole has a molecular weight of 140.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethyl-1H-imidazole is sourced from PubChem (CID 22909640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).