1-octadec-9-enyl-4,5-dihydroimidazole

C21H40N2 — CID 66582394

IUPAC1-octadec-9-enyl-4,5-dihydroimidazole
SMILESCCCCCCCCC=CCCCCCCCCN1C=NCC1
InChIInChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h9-10,21H,2-8,11-20H2,1H3
InChIKeyGUTIUMXPKYFQHT-UHFFFAOYSA-N
MW320.56 g/mol
LogP6.37
Rot. Bonds16

About 1-octadec-9-enyl-4,5-dihydroimidazole

1-octadec-9-enyl-4,5-dihydroimidazole (PubChem CID 66582394) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-octadec-9-enyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-octadec-9-enyl-4,5-dihydroimidazole
PubChem CID66582394
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name1-octadec-9-enyl-4,5-dihydroimidazole
SMILESCCCCCCCCC=CCCCCCCCCN1C=NCC1
InChIInChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h9-10,21H,2-8,11-20H2,1H3
InChIKeyGUTIUMXPKYFQHT-UHFFFAOYSA-N
XLogP6.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.37
H-Bond Donors ≤ 50
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 1-octadec-9-enyl-4,5-dihydroimidazole?
The IUPAC name of 1-octadec-9-enyl-4,5-dihydroimidazole (CID 66582394) is 1-octadec-9-enyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-octadec-9-enyl-4,5-dihydroimidazole?
The canonical SMILES for 1-octadec-9-enyl-4,5-dihydroimidazole is CCCCCCCCC=CCCCCCCCCN1C=NCC1.
What is the InChIKey of 1-octadec-9-enyl-4,5-dihydroimidazole?
The InChIKey is GUTIUMXPKYFQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h9-10,21H,2-8,11-20H2,1H3.
What are the key properties of 1-octadec-9-enyl-4,5-dihydroimidazole?
1-octadec-9-enyl-4,5-dihydroimidazole has a molecular weight of 320.56 g/mol, XLogP of 6.37, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-9-enyl-4,5-dihydroimidazole is sourced from PubChem (CID 66582394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).