5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole

C17H13F11N2O2 — CID 73292514

IUPAC5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole
SMILESCOc1ccccc1-c1cnc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C
InChIInChI=1S/C17H13F11N2O2/c1-30-10(9-5-3-4-6-11(9)31-2)7-29-12(30)32-8-13(18,19)14(20,21)15(22,23)16(24,25)17(26,27)28/h3-7H,8H2,1-2H3
InChIKeyGQWJGHLDGVKVAR-UHFFFAOYSA-N
MW486.28 g/mol
LogP5.58
Rot. Bonds8

About 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole

5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole (PubChem CID 73292514) has the molecular formula C17H13F11N2O2 and a molecular weight of 486.28 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole
PubChem CID73292514
Molecular FormulaC17H13F11N2O2
Molecular Weight486.28 g/mol
Exact Mass486.08
IUPAC Name5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole
SMILESCOc1ccccc1-c1cnc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C
InChIInChI=1S/C17H13F11N2O2/c1-30-10(9-5-3-4-6-11(9)31-2)7-29-12(30)32-8-13(18,19)14(20,21)15(22,23)16(24,25)17(26,27)28/h3-7H,8H2,1-2H3
InChIKeyGQWJGHLDGVKVAR-UHFFFAOYSA-N
XLogP5.58
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.28
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole?
The IUPAC name of 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole (CID 73292514) is 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole?
The canonical SMILES for 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole is COc1ccccc1-c1cnc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C.
What is the InChIKey of 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole?
The InChIKey is GQWJGHLDGVKVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F11N2O2/c1-30-10(9-5-3-4-6-11(9)31-2)7-29-12(30)32-8-13(18,19)14(20,21)15(22,23)16(24,25)17(26,27)28/h3-7H,8H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole?
5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole has a molecular weight of 486.28 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1-methyl-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)imidazole is sourced from PubChem (CID 73292514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).