1-methyl-3-nonadecylimidazol-1-ium chloride

C23H45ClN2 — CID 10452646

IUPAC1-methyl-3-nonadecylimidazol-1-ium chloride
SMILESCCCCCCCCCCCCCCCCCCCn1cc[n+](C)c1.[Cl-]
InChIInChI=1S/C23H45N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(2)23-25;/h21-23H,3-20H2,1-2H3;1H/q+1;/p-1
InChIKeyRAXAQIKNVOVDTR-UHFFFAOYSA-M
MW385.08 g/mol
LogP3.97
Rot. Bonds18

About 1-methyl-3-nonadecylimidazol-1-ium chloride

1-methyl-3-nonadecylimidazol-1-ium chloride (PubChem CID 10452646) has the molecular formula C23H45ClN2 and a molecular weight of 385.08 g/mol. Its IUPAC name is 1-methyl-3-nonadecylimidazol-1-ium chloride.

Molecular Properties

Compound Name1-methyl-3-nonadecylimidazol-1-ium chloride
PubChem CID10452646
Molecular FormulaC23H45ClN2
Molecular Weight385.08 g/mol
Exact Mass384.33
IUPAC Name1-methyl-3-nonadecylimidazol-1-ium chloride
SMILESCCCCCCCCCCCCCCCCCCCn1cc[n+](C)c1.[Cl-]
InChIInChI=1S/C23H45N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(2)23-25;/h21-23H,3-20H2,1-2H3;1H/q+1;/p-1
InChIKeyRAXAQIKNVOVDTR-UHFFFAOYSA-M
XLogP3.97
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium dichloride
CID 71525194
1-dodecyl-3-methylimidazol-3-ium tetrafluoroborate
CID 46226173
1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate
CID 11269922
heptakis(1-hexyl-3-methylimidazol-3-ium);borate;tetrafluoride
CID 175093615
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-methyl-3-(6-tridecylsulfanylhexyl)imidazol-1-ium
CID 102360501
1-hexyl-3-methylimidazol-3-ium;hydrogen carbonate
CID 71551842

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nonadecylimidazol-1-ium chloride?
The IUPAC name of 1-methyl-3-nonadecylimidazol-1-ium chloride (CID 10452646) is 1-methyl-3-nonadecylimidazol-1-ium chloride.
What is the SMILES notation for 1-methyl-3-nonadecylimidazol-1-ium chloride?
The canonical SMILES for 1-methyl-3-nonadecylimidazol-1-ium chloride is CCCCCCCCCCCCCCCCCCCn1cc[n+](C)c1.[Cl-].
What is the InChIKey of 1-methyl-3-nonadecylimidazol-1-ium chloride?
The InChIKey is RAXAQIKNVOVDTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H45N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(2)23-25;/h21-23H,3-20H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-3-nonadecylimidazol-1-ium chloride?
1-methyl-3-nonadecylimidazol-1-ium chloride has a molecular weight of 385.08 g/mol, XLogP of 3.97, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nonadecylimidazol-1-ium chloride is sourced from PubChem (CID 10452646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).