2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole

C21H40N2 — CID 70624707

IUPAC2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCC=CC(C)C1=NCCN1
InChIInChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-22-18-19-23-21/h16-17,20H,3-15,18-19H2,1-2H3,(H,22,23)
InChIKeyALFBJFITAWYEBN-UHFFFAOYSA-N
MW320.57 g/mol
LogP6.27
Rot. Bonds15

About 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole

2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 70624707) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole
PubChem CID70624707
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCC=CC(C)C1=NCCN1
InChIInChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-22-18-19-23-21/h16-17,20H,3-15,18-19H2,1-2H3,(H,22,23)
InChIKeyALFBJFITAWYEBN-UHFFFAOYSA-N
XLogP6.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 56.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole (CID 70624707) is 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCC=CC(C)C1=NCCN1.
What is the InChIKey of 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is ALFBJFITAWYEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-22-18-19-23-21/h16-17,20H,3-15,18-19H2,1-2H3,(H,22,23).
What are the key properties of 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole?
2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 320.57 g/mol, XLogP of 6.27, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadec-3-en-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 70624707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).