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

C21H41ClN2 — CID 66957866

IUPAC1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN1C=NCC1.Cl
InChIInChI=1S/C21H40N2.ClH/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;1H/b10-9-;
InChIKeyOSLIAELLLYLFSP-KVVVOXFISA-N
MW357.03 g/mol
LogP6.79
Rot. Bonds16

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

1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride (PubChem CID 66957866) has the molecular formula C21H41ClN2 and a molecular weight of 357.03 g/mol. Its IUPAC name is 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride.

Molecular Properties

Compound Name1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride
PubChem CID66957866
Molecular FormulaC21H41ClN2
Molecular Weight357.03 g/mol
Exact Mass356.30
IUPAC Name1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN1C=NCC1.Cl
InChIInChI=1S/C21H40N2.ClH/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;1H/b10-9-;
InChIKeyOSLIAELLLYLFSP-KVVVOXFISA-N
XLogP6.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.03
LogP ≤ 56.79
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;hydrochloride?
The IUPAC name of 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride (CID 66957866) is 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride.
What is the SMILES notation for 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride?
The canonical SMILES for 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride is CCCCCCCC/C=C\CCCCCCCCN1C=NCC1.Cl.
What is the InChIKey of 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride?
The InChIKey is OSLIAELLLYLFSP-KVVVOXFISA-N. The full InChI is InChI=1S/C21H40N2.ClH/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;1H/b10-9-;.
What are the key properties of 1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride?
1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole;hydrochloride has a molecular weight of 357.03 g/mol, XLogP of 6.79, 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;hydrochloride is sourced from PubChem (CID 66957866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).