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

C18H13F4N3O2 — CID 16761477

IUPAC2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESCc1ccc(C2=NC(NC(=O)c3ccccc3F)(C(F)(F)F)C(=O)N2)cc1
InChIInChI=1S/C18H13F4N3O2/c1-10-6-8-11(9-7-10)14-23-16(27)17(24-14,18(20,21)22)25-15(26)12-4-2-3-5-13(12)19/h2-9H,1H3,(H,25,26)(H,23,24,27)
InChIKeyBSJZFOUZTRIWHH-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.70
Rot. Bonds3

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

2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (PubChem CID 16761477) has the molecular formula C18H13F4N3O2 and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
PubChem CID16761477
Molecular FormulaC18H13F4N3O2
Molecular Weight379.31 g/mol
Exact Mass379.09
IUPAC Name2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESCc1ccc(C2=NC(NC(=O)c3ccccc3F)(C(F)(F)F)C(=O)N2)cc1
InChIInChI=1S/C18H13F4N3O2/c1-10-6-8-11(9-7-10)14-23-16(27)17(24-14,18(20,21)22)25-15(26)12-4-2-3-5-13(12)19/h2-9H,1H3,(H,25,26)(H,23,24,27)
InChIKeyBSJZFOUZTRIWHH-UHFFFAOYSA-N
XLogP2.70
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (CID 16761477) is 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is Cc1ccc(C2=NC(NC(=O)c3ccccc3F)(C(F)(F)F)C(=O)N2)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The InChIKey is BSJZFOUZTRIWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O2/c1-10-6-8-11(9-7-10)14-23-16(27)17(24-14,18(20,21)22)25-15(26)12-4-2-3-5-13(12)19/h2-9H,1H3,(H,25,26)(H,23,24,27).
What are the key properties of 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide has a molecular weight of 379.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is sourced from PubChem (CID 16761477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).