4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole

C11H18N2 — CID 121420090

IUPAC4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole
SMILESC=CC1=C(/C=C/CCCC)NCN1
InChIInChI=1S/C11H18N2/c1-3-5-6-7-8-11-10(4-2)12-9-13-11/h4,7-8,12-13H,2-3,5-6,9H2,1H3/b8-7+
InChIKeyDXKIYUBHTVAQKX-BQYQJAHWSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds5

About 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole

4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole (PubChem CID 121420090) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole
PubChem CID121420090
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole
SMILESC=CC1=C(/C=C/CCCC)NCN1
InChIInChI=1S/C11H18N2/c1-3-5-6-7-8-11-10(4-2)12-9-13-11/h4,7-8,12-13H,2-3,5-6,9H2,1H3/b8-7+
InChIKeyDXKIYUBHTVAQKX-BQYQJAHWSA-N
XLogP2.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole (CID 121420090) is 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole is C=CC1=C(/C=C/CCCC)NCN1.
What is the InChIKey of 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole?
The InChIKey is DXKIYUBHTVAQKX-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-5-6-7-8-11-10(4-2)12-9-13-11/h4,7-8,12-13H,2-3,5-6,9H2,1H3/b8-7+.
What are the key properties of 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole?
4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole has a molecular weight of 178.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(E)-hex-1-enyl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 121420090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).