2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride

C21H41ClN2 — CID 66957865

IUPAC2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1.Cl
InChIInChI=1S/C21H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;/h9-10H,2-8,11-20H2,1H3,(H,22,23);1H/b10-9-;
InChIKeyKIMICVXEKJJRTB-KVVVOXFISA-N
MW357.03 g/mol
LogP6.84
Rot. Bonds16

About 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 66957865) has the molecular formula C21H41ClN2 and a molecular weight of 357.03 g/mol. Its IUPAC name is 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID66957865
Molecular FormulaC21H41ClN2
Molecular Weight357.03 g/mol
Exact Mass356.30
IUPAC Name2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1.Cl
InChIInChI=1S/C21H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;/h9-10H,2-8,11-20H2,1H3,(H,22,23);1H/b10-9-;
InChIKeyKIMICVXEKJJRTB-KVVVOXFISA-N
XLogP6.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.03
LogP ≤ 56.84
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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Related Compounds

(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406813
N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
CID 129144601
2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
CID 159869190
2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
CID 150338397
[5-(aminomethyl)-2-[(Z)-heptadec-8-enyl]-4,6-dihydro-1H-pyrimidin-5-yl]methanamine
CID 59533653
17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine
CID 118296081
1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole
CID 160698927
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one
CID 70346591
(Z)-heptacos-11-ene
CID 56936074
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 66957865) is 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride is CCCCCCCC/C=C\CCCCCCCCC1=NCCN1.Cl.
What is the InChIKey of 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is KIMICVXEKJJRTB-KVVVOXFISA-N. The full InChI is InChI=1S/C21H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;/h9-10H,2-8,11-20H2,1H3,(H,22,23);1H/b10-9-;.
What are the key properties of 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 357.03 g/mol, XLogP of 6.84, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 66957865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).