3-ethyl-2,4-dihydroimidazole

C5H10N2 — CID 57187658

IUPAC3-ethyl-2,4-dihydroimidazole
SMILESCCN1CC=NC1
InChIInChI=1S/C5H10N2/c1-2-7-4-3-6-5-7/h3H,2,4-5H2,1H3
InChIKeyZASPHCXGUBRXHY-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.35
Rot. Bonds1

About 3-ethyl-2,4-dihydroimidazole

3-ethyl-2,4-dihydroimidazole (PubChem CID 57187658) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-ethyl-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-ethyl-2,4-dihydroimidazole
PubChem CID57187658
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-ethyl-2,4-dihydroimidazole
SMILESCCN1CC=NC1
InChIInChI=1S/C5H10N2/c1-2-7-4-3-6-5-7/h3H,2,4-5H2,1H3
InChIKeyZASPHCXGUBRXHY-UHFFFAOYSA-N
XLogP0.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dihydroimidazole?
The IUPAC name of 3-ethyl-2,4-dihydroimidazole (CID 57187658) is 3-ethyl-2,4-dihydroimidazole.
What is the SMILES notation for 3-ethyl-2,4-dihydroimidazole?
The canonical SMILES for 3-ethyl-2,4-dihydroimidazole is CCN1CC=NC1.
What is the InChIKey of 3-ethyl-2,4-dihydroimidazole?
The InChIKey is ZASPHCXGUBRXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-7-4-3-6-5-7/h3H,2,4-5H2,1H3.
What are the key properties of 3-ethyl-2,4-dihydroimidazole?
3-ethyl-2,4-dihydroimidazole has a molecular weight of 98.15 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dihydroimidazole is sourced from PubChem (CID 57187658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).