1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride

C22H43ClN2 — CID 70477541

IUPAC1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride
SMILESCCCCCCCC/C=C\CCCCCCCCC[NH+]1C=NCC1.[Cl-]
InChIInChI=1S/C22H42N2.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;/h9-10,22H,2-8,11-21H2,1H3;1H/b10-9-;
InChIKeyJYMLTQFALFDSBK-KVVVOXFISA-N
MW371.05 g/mol
LogP2.34
Rot. Bonds17

About 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride

1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride (PubChem CID 70477541) has the molecular formula C22H43ClN2 and a molecular weight of 371.05 g/mol. Its IUPAC name is 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride
PubChem CID70477541
Molecular FormulaC22H43ClN2
Molecular Weight371.05 g/mol
Exact Mass370.31
IUPAC Name1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride
SMILESCCCCCCCC/C=C\CCCCCCCCC[NH+]1C=NCC1.[Cl-]
InChIInChI=1S/C22H42N2.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;/h9-10,22H,2-8,11-21H2,1H3;1H/b10-9-;
InChIKeyJYMLTQFALFDSBK-KVVVOXFISA-N
XLogP2.34
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.05
LogP ≤ 52.34
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

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
2-(8-Heptadecen-1-yl)-N-(2-(2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-1H-imidazole-1-ethanamine
CID 107490
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 6436525
2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 88595
N-(2-Aminoethyl)-N'-(2-(2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)1,2-ethanediamine
CID 22833348
N-(2-Aminoethyl)-N'-(2-(2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
CID 6437097
1-[2-[bis(2-aminoethyl)amino]ethyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172447033
2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
CID 66582392
Di-oleyl imidazoline
CID 129701665
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride?
The IUPAC name of 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride (CID 70477541) is 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride is CCCCCCCC/C=C\CCCCCCCCC[NH+]1C=NCC1.[Cl-].
What is the InChIKey of 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride?
The InChIKey is JYMLTQFALFDSBK-KVVVOXFISA-N. The full InChI is InChI=1S/C22H42N2.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;/h9-10,22H,2-8,11-21H2,1H3;1H/b10-9-;.
What are the key properties of 1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride?
1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride has a molecular weight of 371.05 g/mol, XLogP of 2.34, 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]-4,5-dihydro-1H-imidazol-1-ium chloride is sourced from PubChem (CID 70477541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).