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

C13H12F3N3O2 — CID 2979464

IUPACN-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)N=C(c2ccc(C)cc2)NC1=O
InChIInChI=1S/C13H12F3N3O2/c1-7-3-5-9(6-4-7)10-17-11(21)12(19-10,13(14,15)16)18-8(2)20/h3-6H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyATYWZFULQAWYRX-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.27
Rot. Bonds2

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

N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide (PubChem CID 2979464) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide
PubChem CID2979464
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)N=C(c2ccc(C)cc2)NC1=O
InChIInChI=1S/C13H12F3N3O2/c1-7-3-5-9(6-4-7)10-17-11(21)12(19-10,13(14,15)16)18-8(2)20/h3-6H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyATYWZFULQAWYRX-UHFFFAOYSA-N
XLogP1.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The IUPAC name of N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide (CID 2979464) is N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide is CC(=O)NC1(C(F)(F)F)N=C(c2ccc(C)cc2)NC1=O.
What is the InChIKey of N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The InChIKey is ATYWZFULQAWYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-7-3-5-9(6-4-7)10-17-11(21)12(19-10,13(14,15)16)18-8(2)20/h3-6H,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide has a molecular weight of 299.25 g/mol, XLogP of 1.27, 2 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]acetamide is sourced from PubChem (CID 2979464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).