2-(4-benzyltetradecan-5-yl)imidazol-2-ylium

C24H37N2+ — CID 90977067

IUPAC2-(4-benzyltetradecan-5-yl)imidazol-2-ylium
SMILESCCCCCCCCCC([C+]1N=CC=N1)C(CCC)Cc1ccccc1
InChIInChI=1S/C24H37N2/c1-3-5-6-7-8-9-13-17-23(24-25-18-19-26-24)22(14-4-2)20-21-15-11-10-12-16-21/h10-12,15-16,18-19,22-23H,3-9,13-14,17,20H2,1-2H3/q+1
InChIKeyPEKXGEPUGFSMCB-UHFFFAOYSA-N
MW353.57 g/mol
LogP7.05
Rot. Bonds14

About 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium

2-(4-benzyltetradecan-5-yl)imidazol-2-ylium (PubChem CID 90977067) has the molecular formula C24H37N2+ and a molecular weight of 353.57 g/mol. Its IUPAC name is 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium.

Molecular Properties

Compound Name2-(4-benzyltetradecan-5-yl)imidazol-2-ylium
PubChem CID90977067
Molecular FormulaC24H37N2+
Molecular Weight353.57 g/mol
Exact Mass353.30
IUPAC Name2-(4-benzyltetradecan-5-yl)imidazol-2-ylium
SMILESCCCCCCCCCC([C+]1N=CC=N1)C(CCC)Cc1ccccc1
InChIInChI=1S/C24H37N2/c1-3-5-6-7-8-9-13-17-23(24-25-18-19-26-24)22(14-4-2)20-21-15-11-10-12-16-21/h10-12,15-16,18-19,22-23H,3-9,13-14,17,20H2,1-2H3/q+1
InChIKeyPEKXGEPUGFSMCB-UHFFFAOYSA-N
XLogP7.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylnonadecan-5-yl)imidazol-2-ylium
CID 91178587
2-(7-benzylheptadecan-6-yl)imidazol-2-ylium
CID 90732564
2-(6-benzylhexacosan-7-yl)imidazol-2-ylium
CID 90761555
2-(6-benzyloctadecan-7-yl)imidazol-2-ylium
CID 90994242
2-(11-benzylhenicosan-10-yl)imidazol-2-ylium
CID 91205852
2-(13-benzylnonacosan-12-yl)imidazol-2-ylium
CID 91518565
2-(7-benzyloctadecan-6-yl)imidazol-2-ylium
CID 91342043
2-(11-benzyltriacontan-12-yl)imidazol-2-ylium
CID 91456144
2-(13-benzyloctacosan-12-yl)imidazol-2-ylium
CID 91503729
2-(14-benzyltriacontan-13-yl)imidazol-2-ylium
CID 91309935
2-(14-benzyldotriacontan-13-yl)imidazol-2-ylium
CID 91503517
2-(15-benzyltetratriacontan-16-yl)imidazol-2-ylium
CID 91009492

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium?
The IUPAC name of 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium (CID 90977067) is 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium.
What is the SMILES notation for 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium?
The canonical SMILES for 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium is CCCCCCCCCC([C+]1N=CC=N1)C(CCC)Cc1ccccc1.
What is the InChIKey of 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium?
The InChIKey is PEKXGEPUGFSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N2/c1-3-5-6-7-8-9-13-17-23(24-25-18-19-26-24)22(14-4-2)20-21-15-11-10-12-16-21/h10-12,15-16,18-19,22-23H,3-9,13-14,17,20H2,1-2H3/q+1.
What are the key properties of 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium?
2-(4-benzyltetradecan-5-yl)imidazol-2-ylium has a molecular weight of 353.57 g/mol, XLogP of 7.05, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyltetradecan-5-yl)imidazol-2-ylium is sourced from PubChem (CID 90977067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).