1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole

C21H40N2 — CID 66582392

IUPAC1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCCCN1C=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/b10-9-
InChIKeyGUTIUMXPKYFQHT-KTKRTIGZSA-N
MW320.56 g/mol
LogP6.37
Rot. Bonds16

About 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole

1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole (PubChem CID 66582392) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
PubChem CID66582392
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCCCN1C=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/b10-9-
InChIKeyGUTIUMXPKYFQHT-KTKRTIGZSA-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-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole (CID 66582392) is 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole is CCCCCCCC/C=C\CCCCCCCCN1C=NCC1.
What is the InChIKey of 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole?
The InChIKey is GUTIUMXPKYFQHT-KTKRTIGZSA-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/b10-9-.
What are the key properties of 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole?
1-[(Z)-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-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 66582392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).