1-methyl-3-tetradecyl-2H-imidazole

C18H36N2 — CID 22301575

IUPAC1-methyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C18H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-17H,3-15,18H2,1-2H3
InChIKeyFIOYZGZRZWNKTB-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.36
Rot. Bonds13

About 1-methyl-3-tetradecyl-2H-imidazole

1-methyl-3-tetradecyl-2H-imidazole (PubChem CID 22301575) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-methyl-3-tetradecyl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-tetradecyl-2H-imidazole
PubChem CID22301575
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-methyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C18H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-17H,3-15,18H2,1-2H3
InChIKeyFIOYZGZRZWNKTB-UHFFFAOYSA-N
XLogP5.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Pentyl-3-methylimidazole
CID 19604648
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-methyl-3-octadecyl-2H-imidazole
CID 18183998
1-Decyl-3-methylimidazole
CID 18513308
1-Hexadecyl-3-methylimidazole
CID 18513310
1-Dodecyl-3-methylimidazole
CID 18513314
1-ethenyl-3-octadecyl-2H-imidazole
CID 18679097
1,2-Dimethyl-3 decylimidazole
CID 21567448

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-tetradecyl-2H-imidazole?
The IUPAC name of 1-methyl-3-tetradecyl-2H-imidazole (CID 22301575) is 1-methyl-3-tetradecyl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-tetradecyl-2H-imidazole?
The canonical SMILES for 1-methyl-3-tetradecyl-2H-imidazole is CCCCCCCCCCCCCCN1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-tetradecyl-2H-imidazole?
The InChIKey is FIOYZGZRZWNKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-17H,3-15,18H2,1-2H3.
What are the key properties of 1-methyl-3-tetradecyl-2H-imidazole?
1-methyl-3-tetradecyl-2H-imidazole has a molecular weight of 280.50 g/mol, XLogP of 5.36, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-tetradecyl-2H-imidazole is sourced from PubChem (CID 22301575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).