1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride

C22H41ClN2 — CID 70477583

IUPAC1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride
SMILESCCCCCCCC/C=C\CCCCCCCCC[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C22H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-23-22-24;/h9-10,19,21-22H,2-8,11-18,20H2,1H3;1H/b10-9-;
InChIKeyWLVGEVUIUNOREG-KVVVOXFISA-N
MW369.04 g/mol
LogP2.82
Rot. Bonds17

About 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride

1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride (PubChem CID 70477583) has the molecular formula C22H41ClN2 and a molecular weight of 369.04 g/mol. Its IUPAC name is 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride
PubChem CID70477583
Molecular FormulaC22H41ClN2
Molecular Weight369.04 g/mol
Exact Mass368.30
IUPAC Name1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride
SMILESCCCCCCCC/C=C\CCCCCCCCC[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C22H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-23-22-24;/h9-10,19,21-22H,2-8,11-18,20H2,1H3;1H/b10-9-;
InChIKeyWLVGEVUIUNOREG-KVVVOXFISA-N
XLogP2.82
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.04
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
3-icos-11-en-4-yl-4,5-dihydro-1H-imidazol-3-ium
CID 53729271
3-octadec-9-enyl-4,5-dihydro-1H-imidazol-3-ium
CID 53858374
3-octadec-9-en-2-yl-4,5-dihydro-1H-imidazol-3-ium
CID 54143369
Heptadecenyl imidazolinium chloride
CID 57353752
2-methyl-1-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 59706265
1-dec-9-enyl-1H-imidazol-1-ium iodide
CID 66808419
2-[1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanamine
CID 68647339
(Z)-N-[2-(4,5-dihydroimidazol-1-yl)ethyl]octadec-9-en-1-amine
CID 69505023
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]octadec-9-en-1-amine
CID 69505027
1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride
CID 70477541
1-(Cycloundecen-1-yl)-3-aza-1-azoniacycloundecene
CID 77592478

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride?
The IUPAC name of 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride (CID 70477583) is 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride is CCCCCCCC/C=C\CCCCCCCCC[NH+]1C=CN=C1.[Cl-].
What is the InChIKey of 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride?
The InChIKey is WLVGEVUIUNOREG-KVVVOXFISA-N. The full InChI is InChI=1S/C22H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-23-22-24;/h9-10,19,21-22H,2-8,11-18,20H2,1H3;1H/b10-9-;.
What are the key properties of 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride?
1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride has a molecular weight of 369.04 g/mol, XLogP of 2.82, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride is sourced from PubChem (CID 70477583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).