2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole

C14H16N2 — CID 134149322

IUPAC2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole
SMILESC=CCc1ccccc1/C=C/C1=NCCN1
InChIInChI=1S/C14H16N2/c1-2-5-12-6-3-4-7-13(12)8-9-14-15-10-11-16-14/h2-4,6-9H,1,5,10-11H2,(H,15,16)/b9-8+
InChIKeyIZLJNQVQXZHBMH-CMDGGOBGSA-N
MW212.30 g/mol
LogP2.43
Rot. Bonds4

About 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole

2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole (PubChem CID 134149322) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole
PubChem CID134149322
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole
SMILESC=CCc1ccccc1/C=C/C1=NCCN1
InChIInChI=1S/C14H16N2/c1-2-5-12-6-3-4-7-13(12)8-9-14-15-10-11-16-14/h2-4,6-9H,1,5,10-11H2,(H,15,16)/b9-8+
InChIKeyIZLJNQVQXZHBMH-CMDGGOBGSA-N
XLogP2.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.43
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 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole (CID 134149322) is 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole is C=CCc1ccccc1/C=C/C1=NCCN1.
What is the InChIKey of 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is IZLJNQVQXZHBMH-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-5-12-6-3-4-7-13(12)8-9-14-15-10-11-16-14/h2-4,6-9H,1,5,10-11H2,(H,15,16)/b9-8+.
What are the key properties of 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole?
2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 134149322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).