1-ethyl-3-(2-undecylphenyl)imidazol-1-ium

C22H35N2+ — CID 90803658

IUPAC1-ethyl-3-(2-undecylphenyl)imidazol-1-ium
SMILESCCCCCCCCCCCc1ccccc1-n1cc[n+](CC)c1
InChIInChI=1S/C22H35N2/c1-3-5-6-7-8-9-10-11-12-15-21-16-13-14-17-22(21)24-19-18-23(4-2)20-24/h13-14,16-20H,3-12,15H2,1-2H3/q+1
InChIKeySKICCDPXGWMJSU-UHFFFAOYSA-N
MW327.54 g/mol
LogP5.86
Rot. Bonds12

About 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium

1-ethyl-3-(2-undecylphenyl)imidazol-1-ium (PubChem CID 90803658) has the molecular formula C22H35N2+ and a molecular weight of 327.54 g/mol. Its IUPAC name is 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-3-(2-undecylphenyl)imidazol-1-ium
PubChem CID90803658
Molecular FormulaC22H35N2+
Molecular Weight327.54 g/mol
Exact Mass327.28
IUPAC Name1-ethyl-3-(2-undecylphenyl)imidazol-1-ium
SMILESCCCCCCCCCCCc1ccccc1-n1cc[n+](CC)c1
InChIInChI=1S/C22H35N2/c1-3-5-6-7-8-9-10-11-12-15-21-16-13-14-17-22(21)24-19-18-23(4-2)20-24/h13-14,16-20H,3-12,15H2,1-2H3/q+1
InChIKeySKICCDPXGWMJSU-UHFFFAOYSA-N
XLogP5.86
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.54
LogP ≤ 55.86
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-propyl-3-(2-undecylphenyl)imidazol-1-ium
CID 87816093
1-hexyl-3-(2-methylphenyl)imidazol-1-ium bromide
CID 87306838
1-(2-methoxyphenyl)-3-tetradecylimidazol-3-ium
CID 90373831
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-butyl-3-(2-methylphenyl)imidazol-1-ium iodide
CID 87307264
2-(2-hexylphenyl)isoindole-1,3-dione
CID 10638446
1-ethyl-2-henicosylbenzene
CID 141174443
1,2-dihexylbenzene;hydrate
CID 172833093

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium?
The IUPAC name of 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium (CID 90803658) is 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium.
What is the SMILES notation for 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium?
The canonical SMILES for 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium is CCCCCCCCCCCc1ccccc1-n1cc[n+](CC)c1.
What is the InChIKey of 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium?
The InChIKey is SKICCDPXGWMJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N2/c1-3-5-6-7-8-9-10-11-12-15-21-16-13-14-17-22(21)24-19-18-23(4-2)20-24/h13-14,16-20H,3-12,15H2,1-2H3/q+1.
What are the key properties of 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium?
1-ethyl-3-(2-undecylphenyl)imidazol-1-ium has a molecular weight of 327.54 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-undecylphenyl)imidazol-1-ium is sourced from PubChem (CID 90803658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).