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

C23H44N2 — CID 141148808

IUPAC1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCC/C=C\CCCCCCCCN1C=NCC1
InChIInChI=1S/C23H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-24-23-25/h11-12,23H,2-10,13-22H2,1H3/b12-11-
InChIKeyXGLSJJMUPRFXEY-QXMHVHEDSA-N
MW348.62 g/mol
LogP7.15
Rot. Bonds18

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

1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole (PubChem CID 141148808) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
PubChem CID141148808
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCCCC/C=C\CCCCCCCCN1C=NCC1
InChIInChI=1S/C23H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-24-23-25/h11-12,23H,2-10,13-22H2,1H3/b12-11-
InChIKeyXGLSJJMUPRFXEY-QXMHVHEDSA-N
XLogP7.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.15
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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Related Compounds

1-heptyl-4,5-dihydroimidazole
CID 19733963
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
CID 173231267
N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
CID 67857827
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
CID 174771585
dodecakis(1-butyl-4,5-dihydroimidazole);fluorophosphonic acid
CID 173136185

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole (CID 141148808) is 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole is CCCCCCCCCC/C=C\CCCCCCCCN1C=NCC1.
What is the InChIKey of 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole?
The InChIKey is XGLSJJMUPRFXEY-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-24-23-25/h11-12,23H,2-10,13-22H2,1H3/b12-11-.
What are the key properties of 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole?
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole has a molecular weight of 348.62 g/mol, XLogP of 7.15, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 141148808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).