1-icosyl-2-methyl-1H-imidazol-1-ium

C24H47N2+ — CID 154061728

IUPAC1-icosyl-2-methyl-1H-imidazol-1-ium
SMILESCCCCCCCCCCCCCCCCCCCC[NH+]1C=CN=C1C
InChIInChI=1S/C24H46N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23-21-25-24(26)2/h21,23H,3-20,22H2,1-2H3/p+1
InChIKeyPVQLPDOHPBIIMY-UHFFFAOYSA-O
MW363.65 g/mol
LogP6.82
Rot. Bonds19

About 1-icosyl-2-methyl-1H-imidazol-1-ium

1-icosyl-2-methyl-1H-imidazol-1-ium (PubChem CID 154061728) has the molecular formula C24H47N2+ and a molecular weight of 363.65 g/mol. Its IUPAC name is 1-icosyl-2-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-icosyl-2-methyl-1H-imidazol-1-ium
PubChem CID154061728
Molecular FormulaC24H47N2+
Molecular Weight363.65 g/mol
Exact Mass363.37
IUPAC Name1-icosyl-2-methyl-1H-imidazol-1-ium
SMILESCCCCCCCCCCCCCCCCCCCC[NH+]1C=CN=C1C
InChIInChI=1S/C24H46N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23-21-25-24(26)2/h21,23H,3-20,22H2,1-2H3/p+1
InChIKeyPVQLPDOHPBIIMY-UHFFFAOYSA-O
XLogP6.82
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.65
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-1H-imidazol-1-ium chloride
CID 11737372
1-octyl-1H-imidazol-1-ium chloride
CID 15801194
1-decyl-1H-imidazol-1-ium
CID 17841393
2-(2-undecyl-1H-imidazol-1-ium-1-yl)propanenitrile
CID 18786239
1-decyl-1H-imidazol-1-ium bromide
CID 23075134
1,2-Didodecyl-1-ethylimidazol-1-ium chloride
CID 23092161
1,2-Didodecyl-1-ethylimidazol-1-ium
CID 23092162
1,2-Didodecyl-1-methylimidazol-1-ium chloride
CID 23092163
1,2-Didodecyl-1-methylimidazol-1-ium
CID 23092164
2-methyl-1-octyl-1H-imidazol-1-ium chloride
CID 66602370
2-hexyl-1-methyl-1H-imidazol-1-ium iodide
CID 66652284
1-hexadecyl-1H-imidazol-1-ium bromide
CID 66717879

Frequently Asked Questions

What is the IUPAC name of 1-icosyl-2-methyl-1H-imidazol-1-ium?
The IUPAC name of 1-icosyl-2-methyl-1H-imidazol-1-ium (CID 154061728) is 1-icosyl-2-methyl-1H-imidazol-1-ium.
What is the SMILES notation for 1-icosyl-2-methyl-1H-imidazol-1-ium?
The canonical SMILES for 1-icosyl-2-methyl-1H-imidazol-1-ium is CCCCCCCCCCCCCCCCCCCC[NH+]1C=CN=C1C.
What is the InChIKey of 1-icosyl-2-methyl-1H-imidazol-1-ium?
The InChIKey is PVQLPDOHPBIIMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H46N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23-21-25-24(26)2/h21,23H,3-20,22H2,1-2H3/p+1.
What are the key properties of 1-icosyl-2-methyl-1H-imidazol-1-ium?
1-icosyl-2-methyl-1H-imidazol-1-ium has a molecular weight of 363.65 g/mol, XLogP of 6.82, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icosyl-2-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 154061728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).