5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole

C18H34N2O — CID 146378073

IUPAC5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole
SMILESCCCCCCCC(C)(CCCC)n1cnc(C)c1OC
InChIInChI=1S/C18H34N2O/c1-6-8-10-11-12-14-18(4,13-9-7-2)20-15-19-16(3)17(20)21-5/h15H,6-14H2,1-5H3
InChIKeyFEBUBBCPIYKJKL-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.47
Rot. Bonds11

About 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole

5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole (PubChem CID 146378073) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole
PubChem CID146378073
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole
SMILESCCCCCCCC(C)(CCCC)n1cnc(C)c1OC
InChIInChI=1S/C18H34N2O/c1-6-8-10-11-12-14-18(4,13-9-7-2)20-15-19-16(3)17(20)21-5/h15H,6-14H2,1-5H3
InChIKeyFEBUBBCPIYKJKL-UHFFFAOYSA-N
XLogP5.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.47
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
4-Methoxy-5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379747
1-Tert-butyl-4-methoxy-5-methylimidazole
CID 146379748

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole?
The IUPAC name of 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole (CID 146378073) is 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole.
What is the SMILES notation for 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole?
The canonical SMILES for 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole is CCCCCCCC(C)(CCCC)n1cnc(C)c1OC.
What is the InChIKey of 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole?
The InChIKey is FEBUBBCPIYKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-6-8-10-11-12-14-18(4,13-9-7-2)20-15-19-16(3)17(20)21-5/h15H,6-14H2,1-5H3.
What are the key properties of 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole?
5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole has a molecular weight of 294.48 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-(5-methyldodecan-5-yl)imidazole is sourced from PubChem (CID 146378073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).