4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole

C19H36N2O — CID 146379747

IUPAC4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole
SMILESCCCCCCCC(C)(CCCCC)n1cnc(OC)c1C
InChIInChI=1S/C19H36N2O/c1-6-8-10-11-13-15-19(4,14-12-9-7-2)21-16-20-18(22-5)17(21)3/h16H,6-15H2,1-5H3
InChIKeyCSUHVJSHJRUITF-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.86
Rot. Bonds12

About 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole

4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole (PubChem CID 146379747) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole.

Molecular Properties

Compound Name4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole
PubChem CID146379747
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole
SMILESCCCCCCCC(C)(CCCCC)n1cnc(OC)c1C
InChIInChI=1S/C19H36N2O/c1-6-8-10-11-13-15-19(4,14-12-9-7-2)21-16-20-18(22-5)17(21)3/h16H,6-15H2,1-5H3
InChIKeyCSUHVJSHJRUITF-UHFFFAOYSA-N
XLogP5.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-1-methyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377940
1-Tert-butyl-5-methoxy-4-methylimidazole
CID 146378071
5-Methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378073
1-Tert-butyl-4-methoxy-5-methylimidazole
CID 146379748

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole?
The IUPAC name of 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole (CID 146379747) is 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole.
What is the SMILES notation for 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole?
The canonical SMILES for 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole is CCCCCCCC(C)(CCCCC)n1cnc(OC)c1C.
What is the InChIKey of 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole?
The InChIKey is CSUHVJSHJRUITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-6-8-10-11-13-15-19(4,14-12-9-7-2)21-16-20-18(22-5)17(21)3/h16H,6-15H2,1-5H3.
What are the key properties of 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole?
4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole has a molecular weight of 308.51 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole is sourced from PubChem (CID 146379747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).