2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium

C25H41N2+ — CID 87806792

IUPAC2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium
SMILESCCCCCCCCCCCCCC[n+]1ccn(-c2ccccc2)c1CC
InChIInChI=1S/C25H41N2/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-26-22-23-27(25(26)4-2)24-19-16-15-17-20-24/h15-17,19-20,22-23H,3-14,18,21H2,1-2H3/q+1
InChIKeyGUZFGPYUMWNGOS-UHFFFAOYSA-N
MW369.62 g/mol
LogP7.03
Rot. Bonds15

About 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium

2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium (PubChem CID 87806792) has the molecular formula C25H41N2+ and a molecular weight of 369.62 g/mol. Its IUPAC name is 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium.

Molecular Properties

Compound Name2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium
PubChem CID87806792
Molecular FormulaC25H41N2+
Molecular Weight369.62 g/mol
Exact Mass369.33
IUPAC Name2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium
SMILESCCCCCCCCCCCCCC[n+]1ccn(-c2ccccc2)c1CC
InChIInChI=1S/C25H41N2/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-26-22-23-27(25(26)4-2)24-19-16-15-17-20-24/h15-17,19-20,22-23H,3-14,18,21H2,1-2H3/q+1
InChIKeyGUZFGPYUMWNGOS-UHFFFAOYSA-N
XLogP7.03
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.62
LogP ≤ 57.03
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

2-ethyl-1-octadecyl-3-phenylimidazol-1-ium
CID 87807055
1-pentadecyl-3-phenyl-2-undecylimidazol-1-ium
CID 87810411
1-octadecyl-2-pentadecyl-3-phenylimidazol-1-ium
CID 87806987
1-dodecyl-2-pentyl-3-phenylimidazol-1-ium
CID 87811153
1-heptadecyl-2-hexadecyl-3-phenylimidazol-1-ium
CID 87897585
2-octadecyl-1-phenyl-3-tridecylimidazol-3-ium
CID 87896052
1-decyl-2-nonyl-3-phenylimidazol-1-ium
CID 87808367
1-decyl-2-hexadecyl-3-phenylimidazol-1-ium
CID 87897290
2-benzyl-1-nonadecyl-3-phenylimidazol-1-ium
CID 87896914
1-butyl-3-phenyl-2-undecylimidazol-1-ium
CID 87808262
2-octadecyl-1-phenyl-3-propylimidazol-3-ium
CID 87807907
1-phenyl-3-propyl-2-undecylimidazol-3-ium
CID 87809743

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium?
The IUPAC name of 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium (CID 87806792) is 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium.
What is the SMILES notation for 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium?
The canonical SMILES for 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium is CCCCCCCCCCCCCC[n+]1ccn(-c2ccccc2)c1CC.
What is the InChIKey of 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium?
The InChIKey is GUZFGPYUMWNGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N2/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-26-22-23-27(25(26)4-2)24-19-16-15-17-20-24/h15-17,19-20,22-23H,3-14,18,21H2,1-2H3/q+1.
What are the key properties of 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium?
2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium has a molecular weight of 369.62 g/mol, XLogP of 7.03, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-phenyl-3-tetradecylimidazol-3-ium is sourced from PubChem (CID 87806792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).