2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole

C18H34N2O — CID 146378115

IUPAC2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1cn(C)c(OC)n1
InChIInChI=1S/C18H34N2O/c1-6-8-10-12-14-18(3,13-11-9-7-2)16-15-20(4)17(19-16)21-5/h15H,6-14H2,1-5H3
InChIKeyISNHYQRFRZSOGQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.24
Rot. Bonds11

About 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole

2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole (PubChem CID 146378115) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
PubChem CID146378115
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1cn(C)c(OC)n1
InChIInChI=1S/C18H34N2O/c1-6-8-10-12-14-18(3,13-11-9-7-2)16-15-20(4)17(19-16)21-5/h15H,6-14H2,1-5H3
InChIKeyISNHYQRFRZSOGQ-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
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

1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 170409875
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
CID 126762814
3,4-difluoro-1-methyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146377449
4-chloro-1-methyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146377588
2-chloro-1-methyl-4-(6-methyldodecan-6-yl)pyrrole
CID 146378002
5-bromo-3-methoxy-1-methyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146379474
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853
2,4-didecyl-1-methylimidazole
CID 68813551
1,2-dimethyl-4-octylimidazole
CID 118062821

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The IUPAC name of 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole (CID 146378115) is 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole.
What is the SMILES notation for 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The canonical SMILES for 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole is CCCCCCC(C)(CCCCC)c1cn(C)c(OC)n1.
What is the InChIKey of 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The InChIKey is ISNHYQRFRZSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-6-8-10-12-14-18(3,13-11-9-7-2)16-15-20(4)17(19-16)21-5/h15H,6-14H2,1-5H3.
What are the key properties of 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole has a molecular weight of 294.48 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole is sourced from PubChem (CID 146378115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).