1-methyl-3-tetradecylimidazol-1-ium

C18H35N2+ — CID 2734230

IUPAC1-methyl-3-tetradecylimidazol-1-ium
SMILESCCCCCCCCCCCCCCn1cc[n+](C)c1
InChIInChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1
InChIKeyBMKLRPQTYXVGNK-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.01
Rot. Bonds13

About 1-methyl-3-tetradecylimidazol-1-ium

1-methyl-3-tetradecylimidazol-1-ium (PubChem CID 2734230) has the molecular formula C18H35N2+ and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-methyl-3-tetradecylimidazol-1-ium.

Molecular Properties

Compound Name1-methyl-3-tetradecylimidazol-1-ium
PubChem CID2734230
Molecular FormulaC18H35N2+
Molecular Weight279.49 g/mol
Exact Mass279.28
IUPAC Name1-methyl-3-tetradecylimidazol-1-ium
SMILESCCCCCCCCCCCCCCn1cc[n+](C)c1
InChIInChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1
InChIKeyBMKLRPQTYXVGNK-UHFFFAOYSA-N
XLogP5.01
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.01
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-tetradecylimidazol-1-ium?
The IUPAC name of 1-methyl-3-tetradecylimidazol-1-ium (CID 2734230) is 1-methyl-3-tetradecylimidazol-1-ium.
What is the SMILES notation for 1-methyl-3-tetradecylimidazol-1-ium?
The canonical SMILES for 1-methyl-3-tetradecylimidazol-1-ium is CCCCCCCCCCCCCCn1cc[n+](C)c1.
What is the InChIKey of 1-methyl-3-tetradecylimidazol-1-ium?
The InChIKey is BMKLRPQTYXVGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1.
What are the key properties of 1-methyl-3-tetradecylimidazol-1-ium?
1-methyl-3-tetradecylimidazol-1-ium has a molecular weight of 279.49 g/mol, XLogP of 5.01, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-tetradecylimidazol-1-ium is sourced from PubChem (CID 2734230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).