2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole

C18H33FN2O — CID 146377939

IUPAC2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1nc(F)n(C)c1OC
InChIInChI=1S/C18H33FN2O/c1-6-8-10-12-14-18(3,13-11-9-7-2)15-16(22-5)21(4)17(19)20-15/h6-14H2,1-5H3
InChIKeyINALNTXVHJUKOG-UHFFFAOYSA-N
MW312.47 g/mol
LogP5.38
Rot. Bonds11

About 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole

2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole (PubChem CID 146377939) has the molecular formula C18H33FN2O and a molecular weight of 312.47 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
PubChem CID146377939
Molecular FormulaC18H33FN2O
Molecular Weight312.47 g/mol
Exact Mass312.26
IUPAC Name2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1nc(F)n(C)c1OC
InChIInChI=1S/C18H33FN2O/c1-6-8-10-12-14-18(3,13-11-9-7-2)15-16(22-5)21(4)17(19)20-15/h6-14H2,1-5H3
InChIKeyINALNTXVHJUKOG-UHFFFAOYSA-N
XLogP5.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.47
LogP ≤ 55.38
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The IUPAC name of 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole (CID 146377939) is 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole.
What is the SMILES notation for 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The canonical SMILES for 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole is CCCCCCC(C)(CCCCC)c1nc(F)n(C)c1OC.
What is the InChIKey of 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The InChIKey is INALNTXVHJUKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2O/c1-6-8-10-12-14-18(3,13-11-9-7-2)15-16(22-5)21(4)17(19)20-15/h6-14H2,1-5H3.
What are the key properties of 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole has a molecular weight of 312.47 g/mol, XLogP of 5.38, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole is sourced from PubChem (CID 146377939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).