4-ethyl-4H-imidazole

C5H8N2 — CID 20716447

IUPAC4-ethyl-4H-imidazole
SMILESCCC1C=NC=N1
InChIInChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h3-5H,2H2,1H3
InChIKeyOPONTMDKZHRWNV-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.88
Rot. Bonds1

About 4-ethyl-4H-imidazole

4-ethyl-4H-imidazole (PubChem CID 20716447) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-ethyl-4H-imidazole.

Molecular Properties

Compound Name4-ethyl-4H-imidazole
PubChem CID20716447
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name4-ethyl-4H-imidazole
SMILESCCC1C=NC=N1
InChIInChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h3-5H,2H2,1H3
InChIKeyOPONTMDKZHRWNV-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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Related Compounds

Dimethyl 2h imidazole
CID 22173766
2-Ethyl-2-methylimidazole
CID 22245395
Dimethyl 4h imidazole
CID 57536289
3-Fluoro-4-methyl-4,5-dihydropyrimidin-3-ium
CID 174194555
InChI=1/C6H10N2/c1-5-4-7-6(2,3)8-5/h4H,1-3H
CID 5325309
2,4,5-trimethyl-4H-imidazole
CID 13207691
2,4,4-Trimethyl-4H-imidazole
CID 13836708
4,4-Dimethylimidazole
CID 13836709
4-methyl-4H-imidazole
CID 15300564
1,4-dimethyl-4H-imidazol-1-ium
CID 18345238
2-ethyl-4H-imidazole
CID 20725723
4-propyl-4H-imidazole
CID 22890428

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4H-imidazole?
The IUPAC name of 4-ethyl-4H-imidazole (CID 20716447) is 4-ethyl-4H-imidazole.
What is the SMILES notation for 4-ethyl-4H-imidazole?
The canonical SMILES for 4-ethyl-4H-imidazole is CCC1C=NC=N1.
What is the InChIKey of 4-ethyl-4H-imidazole?
The InChIKey is OPONTMDKZHRWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-4H-imidazole?
4-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 4-ethyl-4H-imidazole is sourced from PubChem (CID 20716447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).