2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole

C20H38N2 — CID 13117048

IUPAC2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC/C=C/CCCCCCCC1=NCCN1
InChIInChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9+
InChIKeyVPROSGVVNDHJLC-MDZDMXLPSA-N
MW306.54 g/mol
LogP6.03
Rot. Bonds15

About 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole

2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 13117048) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole
PubChem CID13117048
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole
SMILESCCCCCCCC/C=C/CCCCCCCC1=NCCN1
InChIInChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9+
InChIKeyVPROSGVVNDHJLC-MDZDMXLPSA-N
XLogP6.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-heptadec-8-enyl]-4,5-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 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole (CID 13117048) is 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole is CCCCCCCC/C=C/CCCCCCCC1=NCCN1.
What is the InChIKey of 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is VPROSGVVNDHJLC-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9+.
What are the key properties of 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole?
2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.03, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-heptadec-8-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13117048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).