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

C12H10F3N3O2 — CID 4517647

IUPACN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C12H10F3N3O2/c1-7(19)17-11(12(13,14)15)10(20)16-9(18-11)8-5-3-2-4-6-8/h2-6H,1H3,(H,17,19)(H,16,18,20)
InChIKeyJBSAJMNCWWFAEC-UHFFFAOYSA-N
MW285.22 g/mol
LogP0.96
Rot. Bonds2

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

N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide (PubChem CID 4517647) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide
PubChem CID4517647
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC NameN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C12H10F3N3O2/c1-7(19)17-11(12(13,14)15)10(20)16-9(18-11)8-5-3-2-4-6-8/h2-6H,1H3,(H,17,19)(H,16,18,20)
InChIKeyJBSAJMNCWWFAEC-UHFFFAOYSA-N
XLogP0.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]carbamate
CID 2978721
2-Fluoro-N-(5-oxo-2-phenyl-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-yl)-benzamide
CID 579556
2-phenyl-4,5-dihydro-1H-imidazol-5-one
CID 2749590
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
CID 2962120
N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide
CID 2979464
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]propanamide
CID 17087952
4-Hydroxy-2-phenyl-4-trifluoromethyl-2-imidazolin-5-one
CID 13697438
4-Chloro-2-phenyl-4-trifluoromethyl-2-imidazolin-5-one
CID 14926297
4-Isothiocyanato-2-phenyl-4-trifluoromethyl-2-imidazolin-5-one
CID 14926298
4-Fluoro-N-[4-oxo-2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-5-yl]benzamide
CID 579555
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide
CID 2968524
(5-Oxo-2-p-tolyl-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-yl)carbamic acid, ethyl ester
CID 4363657

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The IUPAC name of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide (CID 4517647) is N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The canonical SMILES for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide is CC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O.
What is the InChIKey of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The InChIKey is JBSAJMNCWWFAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7(19)17-11(12(13,14)15)10(20)16-9(18-11)8-5-3-2-4-6-8/h2-6H,1H3,(H,17,19)(H,16,18,20).
What are the key properties of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide has a molecular weight of 285.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]acetamide is sourced from PubChem (CID 4517647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).