4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

C10H6ClF3N2O — CID 14926297

IUPAC4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=NC1(Cl)C(F)(F)F
InChIInChI=1S/C10H6ClF3N2O/c11-9(10(12,13)14)8(17)15-7(16-9)6-4-2-1-3-5-6/h1-5H,(H,15,16,17)
InChIKeyVIKIABWYAOMHSJ-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.06
Rot. Bonds1

About 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (PubChem CID 14926297) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
PubChem CID14926297
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=NC1(Cl)C(F)(F)F
InChIInChI=1S/C10H6ClF3N2O/c11-9(10(12,13)14)8(17)15-7(16-9)6-4-2-1-3-5-6/h1-5H,(H,15,16,17)
InChIKeyVIKIABWYAOMHSJ-UHFFFAOYSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The IUPAC name of 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (CID 14926297) is 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The canonical SMILES for 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is O=C1NC(c2ccccc2)=NC1(Cl)C(F)(F)F.
What is the InChIKey of 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The InChIKey is VIKIABWYAOMHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-9(10(12,13)14)8(17)15-7(16-9)6-4-2-1-3-5-6/h1-5H,(H,15,16,17).
What are the key properties of 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one has a molecular weight of 262.62 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is sourced from PubChem (CID 14926297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).