4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium

C17H33N2+ — CID 175999553

IUPAC4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium
SMILESCCCCCCCCCCCCc1c[nH]c(C)[n+]1C
InChIInChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-16(2)19(17)3/h15H,4-14H2,1-3H3/p+1
InChIKeyYJNXBQNMCCGVGK-UHFFFAOYSA-O
MW265.46 g/mol
LogP4.61
Rot. Bonds11

About 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium

4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium (PubChem CID 175999553) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium
PubChem CID175999553
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium
SMILESCCCCCCCCCCCCc1c[nH]c(C)[n+]1C
InChIInChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-16(2)19(17)3/h15H,4-14H2,1-3H3/p+1
InChIKeyYJNXBQNMCCGVGK-UHFFFAOYSA-O
XLogP4.61
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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

2,3-dimethyl-4-nonyl-1H-imidazol-3-ium
CID 90008456
4-hexyl-2,3-dimethyl-1H-imidazol-3-ium iodide
CID 67530778
4-butyl-3-methyl-1H-imidazol-3-ium-2-sulfonate
CID 175814340
(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene
CID 137093498
3,4-dihexyl-1H-pyrrole
CID 67204335
2,3-dimethyl-5-tetradecyl-1H-imidazol-3-ium chloride
CID 141475875
2,3-dimethyl-5-octadecyl-1H-imidazol-3-ium chloride
CID 141475876
3-methyl-2-octadecyl-1H-imidazol-3-ium
CID 68727149
3-benzyl-4-dodecyl-2-ethyl-1H-imidazol-3-ium chloride
CID 70429845
1-methyl-2-tetradecylpyridin-1-ium bromide
CID 57359904
1-(3-hexadecyl-2-methyl-1H-imidazol-3-ium-4-yl)ethanol
CID 3008073
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418

Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium?
The IUPAC name of 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium (CID 175999553) is 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium.
What is the SMILES notation for 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium?
The canonical SMILES for 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium is CCCCCCCCCCCCc1c[nH]c(C)[n+]1C.
What is the InChIKey of 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium?
The InChIKey is YJNXBQNMCCGVGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-16(2)19(17)3/h15H,4-14H2,1-3H3/p+1.
What are the key properties of 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium?
4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium has a molecular weight of 265.46 g/mol, XLogP of 4.61, 11 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-2,3-dimethyl-1H-imidazol-3-ium is sourced from PubChem (CID 175999553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).