N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide

C18H14F3N3O2 — CID 3418666

IUPACN-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESCc1ccc(C2=NC(NC(=O)c3ccccc3)(C(F)(F)F)C(=O)N2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-11-7-9-12(10-8-11)14-22-16(26)17(23-14,18(19,20)21)24-15(25)13-5-3-2-4-6-13/h2-10H,1H3,(H,24,25)(H,22,23,26)
InChIKeyJYNONYLFNPIDTK-UHFFFAOYSA-N
MW361.32 g/mol
LogP2.56
Rot. Bonds3

About N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide

N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (PubChem CID 3418666) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
PubChem CID3418666
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESCc1ccc(C2=NC(NC(=O)c3ccccc3)(C(F)(F)F)C(=O)N2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-11-7-9-12(10-8-11)14-22-16(26)17(23-14,18(19,20)21)24-15(25)13-5-3-2-4-6-13/h2-10H,1H3,(H,24,25)(H,22,23,26)
InChIKeyJYNONYLFNPIDTK-UHFFFAOYSA-N
XLogP2.56
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide 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 N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The IUPAC name of N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (CID 3418666) is N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is Cc1ccc(C2=NC(NC(=O)c3ccccc3)(C(F)(F)F)C(=O)N2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The InChIKey is JYNONYLFNPIDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-11-7-9-12(10-8-11)14-22-16(26)17(23-14,18(19,20)21)24-15(25)13-5-3-2-4-6-13/h2-10H,1H3,(H,24,25)(H,22,23,26).
What are the key properties of N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide has a molecular weight of 361.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is sourced from PubChem (CID 3418666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).