3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol

C12H11F5N2O — CID 10968384

IUPAC3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol
SMILESCN1CC(O)(C(F)(F)C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C12H11F5N2O/c1-19-7-10(20,11(13,14)12(15,16)17)18-9(19)8-5-3-2-4-6-8/h2-6,20H,7H2,1H3
InChIKeyZODJPBPCLVFFLQ-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.26
Rot. Bonds2

About 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol

3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol (PubChem CID 10968384) has the molecular formula C12H11F5N2O and a molecular weight of 294.22 g/mol. Its IUPAC name is 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol.

Molecular Properties

Compound Name3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol
PubChem CID10968384
Molecular FormulaC12H11F5N2O
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Name3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol
SMILESCN1CC(O)(C(F)(F)C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C12H11F5N2O/c1-19-7-10(20,11(13,14)12(15,16)17)18-9(19)8-5-3-2-4-6-8/h2-6,20H,7H2,1H3
InChIKeyZODJPBPCLVFFLQ-UHFFFAOYSA-N
XLogP2.26
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol?
The IUPAC name of 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol (CID 10968384) is 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol.
What is the SMILES notation for 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol?
The canonical SMILES for 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol is CN1CC(O)(C(F)(F)C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol?
The InChIKey is ZODJPBPCLVFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O/c1-19-7-10(20,11(13,14)12(15,16)17)18-9(19)8-5-3-2-4-6-8/h2-6,20H,7H2,1H3.
What are the key properties of 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol?
3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol has a molecular weight of 294.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol is sourced from PubChem (CID 10968384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).