2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole

C9H6F4N2 — CID 87237813

IUPAC2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole
SMILESFC1=C(F)N(F)C(F)(c2ccccc2)N1
InChIInChI=1S/C9H6F4N2/c10-7-8(11)15(13)9(12,14-7)6-4-2-1-3-5-6/h1-5,14H
InChIKeyORYPZOWJCCSSRV-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.62
Rot. Bonds1

About 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole

2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole (PubChem CID 87237813) has the molecular formula C9H6F4N2 and a molecular weight of 218.15 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole
PubChem CID87237813
Molecular FormulaC9H6F4N2
Molecular Weight218.15 g/mol
Exact Mass218.05
IUPAC Name2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole
SMILESFC1=C(F)N(F)C(F)(c2ccccc2)N1
InChIInChI=1S/C9H6F4N2/c10-7-8(11)15(13)9(12,14-7)6-4-2-1-3-5-6/h1-5,14H
InChIKeyORYPZOWJCCSSRV-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole 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 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole?
The IUPAC name of 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole (CID 87237813) is 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole.
What is the SMILES notation for 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole?
The canonical SMILES for 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole is FC1=C(F)N(F)C(F)(c2ccccc2)N1.
What is the InChIKey of 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole?
The InChIKey is ORYPZOWJCCSSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2/c10-7-8(11)15(13)9(12,14-7)6-4-2-1-3-5-6/h1-5,14H.
What are the key properties of 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole?
2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole has a molecular weight of 218.15 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole is sourced from PubChem (CID 87237813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).