2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole

C₁₈H₃₃FN₂ — CID 146377888

About 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole

2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole (PubChem CID 146377888) has the molecular formula C₁₈H₃₃FN₂ and a molecular weight of 296.47 g/mol. Its IUPAC name is 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole.

Molecular Properties

• Compound Name: 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole
• PubChem CID: 146377888
• Molecular Formula: C₁₈H₃₃FN₂
• Molecular Weight: 296.47 g/mol
• Exact Mass: 296.26
• IUPAC Name: 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole
• SMILES: CCCCCCC(C)(CCCCC)c1nc(F)n(C)c1C
• InChI: InChI=1S/C18H33FN2/c1-6-8-10-12-14-18(4,13-11-9-7-2)16-15(3)21(5)17(19)20-16/h6-14H2,1-5H3
• InChIKey: PUELVPNDQSKATG-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	296.47
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole?

The IUPAC name of 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole (CID 146377888) is 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole.

What is the SMILES notation for 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole?

The canonical SMILES for 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole is CCCCCCC(C)(CCCCC)c1nc(F)n(C)c1C.

What is the InChIKey of 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole?

The InChIKey is PUELVPNDQSKATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2/c1-6-8-10-12-14-18(4,13-11-9-7-2)16-15(3)21(5)17(19)20-16/h6-14H2,1-5H3.

What are the key properties of 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole?

2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole has a molecular weight of 296.47 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-1,5-dimethyl-4-(6-methyldodecan-6-yl)imidazole is sourced from PubChem (CID 146377888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146377888 — identifiers, structure, computed properties (public domain)

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