N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide

C23H24F3N3O3 — CID 17344487

IUPACN-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)C(C)(C)C)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H24F3N3O3/c1-21(2,3)19(30)28-22(23(24,25)26)20(31)29(14-15-10-12-17(32-4)13-11-15)18(27-22)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,28,30)
InChIKeyIRRXYIWUASEIKS-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.91
Rot. Bonds5

About N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide

N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 17344487) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
PubChem CID17344487
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)C(C)(C)C)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H24F3N3O3/c1-21(2,3)19(30)28-22(23(24,25)26)20(31)29(14-15-10-12-17(32-4)13-11-15)18(27-22)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,28,30)
InChIKeyIRRXYIWUASEIKS-UHFFFAOYSA-N
XLogP3.91
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[1-[(4-Methoxyphenyl)methyl]-4,6-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677468
2-[2-[[5-[(4-Methoxyphenyl)methyl]-4,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677477
N-[1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
CID 15987560
N-{1-[(4-Methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-YL}-2-methylbenzamide
CID 15987564
N-[1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-methylbenzamide
CID 15987562
2-Methoxy-N-{1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-YL}benzamide
CID 15987566
2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 20962282
"N-(3-fluorobenzyl)-2-(4-methoxyphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carboxamide"
CID 136339009
(5E)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 5715034
2-(2,2-dimethyl-5-oxo-4-phenyl-2,5-dihydro-1H-imidazol-1-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 91891052
2-(4-Methoxyphenyl)-7-propanoyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112269
7-acetyl-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112273

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide (CID 17344487) is N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide is COc1ccc(CN2C(=O)C(NC(=O)C(C)(C)C)(C(F)(F)F)N=C2c2ccccc2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is IRRXYIWUASEIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-21(2,3)19(30)28-22(23(24,25)26)20(31)29(14-15-10-12-17(32-4)13-11-15)18(27-22)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,28,30).
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide?
N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 447.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 17344487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).