4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole

C14H25FN2 — CID 22891110

IUPAC4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole
SMILESCC(C)CCCCc1nc(F)c(C(C)C)n1C
InChIInChI=1S/C14H25FN2/c1-10(2)8-6-7-9-12-16-14(15)13(11(3)4)17(12)5/h10-11H,6-9H2,1-5H3
InChIKeyHVSKQNOECUNDBA-UHFFFAOYSA-N
MW240.37 g/mol
LogP4.05
Rot. Bonds6

About 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole

4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole (PubChem CID 22891110) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole
PubChem CID22891110
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole
SMILESCC(C)CCCCc1nc(F)c(C(C)C)n1C
InChIInChI=1S/C14H25FN2/c1-10(2)8-6-7-9-12-16-14(15)13(11(3)4)17(12)5/h10-11H,6-9H2,1-5H3
InChIKeyHVSKQNOECUNDBA-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole?
The IUPAC name of 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole (CID 22891110) is 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole.
What is the SMILES notation for 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole?
The canonical SMILES for 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole is CC(C)CCCCc1nc(F)c(C(C)C)n1C.
What is the InChIKey of 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole?
The InChIKey is HVSKQNOECUNDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2/c1-10(2)8-6-7-9-12-16-14(15)13(11(3)4)17(12)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole?
4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole has a molecular weight of 240.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole is sourced from PubChem (CID 22891110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).