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

C7H12N2 — CID 19431843

IUPAC5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole
SMILESC=CC1CN=C(CC)N1
InChIInChI=1S/C7H12N2/c1-3-6-5-8-7(4-2)9-6/h3,6H,1,4-5H2,2H3,(H,8,9)
InChIKeyTWLNWTFOSVBOSG-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds2

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

5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole (PubChem CID 19431843) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole
PubChem CID19431843
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole
SMILESC=CC1CN=C(CC)N1
InChIInChI=1S/C7H12N2/c1-3-6-5-8-7(4-2)9-6/h3,6H,1,4-5H2,2H3,(H,8,9)
InChIKeyTWLNWTFOSVBOSG-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole (CID 19431843) is 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole is C=CC1CN=C(CC)N1.
What is the InChIKey of 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole?
The InChIKey is TWLNWTFOSVBOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-6-5-8-7(4-2)9-6/h3,6H,1,4-5H2,2H3,(H,8,9).
What are the key properties of 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole?
5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 19431843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).