5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole

C13H13F3N2O — CID 165482418

IUPAC5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole
SMILESCC(C)n1cncc1-c1ccc(OC(F)F)cc1F
InChIInChI=1S/C13H13F3N2O/c1-8(2)18-7-17-6-12(18)10-4-3-9(5-11(10)14)19-13(15)16/h3-8,13H,1-2H3
InChIKeyUVXDZDYKOKUSCO-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.87
Rot. Bonds4

About 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole

5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole (PubChem CID 165482418) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole
PubChem CID165482418
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole
SMILESCC(C)n1cncc1-c1ccc(OC(F)F)cc1F
InChIInChI=1S/C13H13F3N2O/c1-8(2)18-7-17-6-12(18)10-4-3-9(5-11(10)14)19-13(15)16/h3-8,13H,1-2H3
InChIKeyUVXDZDYKOKUSCO-UHFFFAOYSA-N
XLogP3.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole?
The IUPAC name of 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole (CID 165482418) is 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole?
The canonical SMILES for 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole is CC(C)n1cncc1-c1ccc(OC(F)F)cc1F.
What is the InChIKey of 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole?
The InChIKey is UVXDZDYKOKUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8(2)18-7-17-6-12(18)10-4-3-9(5-11(10)14)19-13(15)16/h3-8,13H,1-2H3.
What are the key properties of 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole?
5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole has a molecular weight of 270.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 165482418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).