2-ethyl-4,5-dihydro-1H-imidazole

C5H10N2 — CID 13590

IUPAC2-ethyl-4,5-dihydro-1H-imidazole
SMILESCCC1=NCCN1
InChIInChI=1S/C5H10N2/c1-2-5-6-3-4-7-5/h2-4H2,1H3,(H,6,7)
InChIKeyQUPKCFBHJFNUEW-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.40
Rot. Bonds1

About 2-ethyl-4,5-dihydro-1H-imidazole

2-ethyl-4,5-dihydro-1H-imidazole (PubChem CID 13590) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-ethyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-4,5-dihydro-1H-imidazole
PubChem CID13590
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-ethyl-4,5-dihydro-1H-imidazole
SMILESCCC1=NCCN1
InChIInChI=1S/C5H10N2/c1-2-5-6-3-4-7-5/h2-4H2,1H3,(H,6,7)
InChIKeyQUPKCFBHJFNUEW-UHFFFAOYSA-N
XLogP0.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-ethyl-4,5-dihydro-1H-imidazole (CID 13590) is 2-ethyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-ethyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-ethyl-4,5-dihydro-1H-imidazole is CCC1=NCCN1.
What is the InChIKey of 2-ethyl-4,5-dihydro-1H-imidazole?
The InChIKey is QUPKCFBHJFNUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-5-6-3-4-7-5/h2-4H2,1H3,(H,6,7).
What are the key properties of 2-ethyl-4,5-dihydro-1H-imidazole?
2-ethyl-4,5-dihydro-1H-imidazole has a molecular weight of 98.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).