5-ethyl-4H-imidazole

C5H8N2 — CID 58352499

IUPAC5-ethyl-4H-imidazole
SMILESCCC1=NC=NC1
InChIInChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h4H,2-3H2,1H3
InChIKeyWZCNCBGRKTUECK-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.88
Rot. Bonds1

About 5-ethyl-4H-imidazole

5-ethyl-4H-imidazole (PubChem CID 58352499) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 5-ethyl-4H-imidazole.

Molecular Properties

Compound Name5-ethyl-4H-imidazole
PubChem CID58352499
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name5-ethyl-4H-imidazole
SMILESCCC1=NC=NC1
InChIInChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h4H,2-3H2,1H3
InChIKeyWZCNCBGRKTUECK-UHFFFAOYSA-N
XLogP0.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4H-imidazole?
The IUPAC name of 5-ethyl-4H-imidazole (CID 58352499) is 5-ethyl-4H-imidazole.
What is the SMILES notation for 5-ethyl-4H-imidazole?
The canonical SMILES for 5-ethyl-4H-imidazole is CCC1=NC=NC1.
What is the InChIKey of 5-ethyl-4H-imidazole?
The InChIKey is WZCNCBGRKTUECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h4H,2-3H2,1H3.
What are the key properties of 5-ethyl-4H-imidazole?
5-ethyl-4H-imidazole has a molecular weight of 96.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4H-imidazole is sourced from PubChem (CID 58352499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).