N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide

C25H20F3N3O2 — CID 15987555

IUPACN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H20F3N3O2/c1-17-12-14-20(15-13-17)22(32)30-24(25(26,27)28)23(33)31(16-18-8-4-2-5-9-18)21(29-24)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,30,32)
InChIKeyPZYLDOPQYSARIS-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.47
Rot. Bonds5

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

N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide (PubChem CID 15987555) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide
PubChem CID15987555
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H20F3N3O2/c1-17-12-14-20(15-13-17)22(32)30-24(25(26,27)28)23(33)31(16-18-8-4-2-5-9-18)21(29-24)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,30,32)
InChIKeyPZYLDOPQYSARIS-UHFFFAOYSA-N
XLogP4.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-N-(5-oxo-2-phenyl-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-yl)-benzamide
CID 579556
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-methylbenzamide
CID 15987557
Bz(4-CF3)-Phe(4-amidino)-Lys-Phg-NH2
CID 122193304
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-fluorobenzamide
CID 16426770
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-fluorobenzamide
CID 15987553
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
CID 2962120
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-fluorobenzamide
CID 2962171
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-methylbenzamide
CID 15987552
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-4-(trifluoromethyl)benzamide
CID 16030259
4-cyano-N-[(4R)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide
CID 10254522
4-cyano-N-[2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide
CID 10096638
4-[[[(2R)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]methyl]benzamide
CID 153287033

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide (CID 15987555) is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide?
The InChIKey is PZYLDOPQYSARIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-17-12-14-20(15-13-17)22(32)30-24(25(26,27)28)23(33)31(16-18-8-4-2-5-9-18)21(29-24)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,30,32).
What are the key properties of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide?
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide has a molecular weight of 451.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 15987555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).