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

C25H20F3N3O2 — CID 15987557

IUPACN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H20F3N3O2/c1-17-10-8-9-15-20(17)22(32)30-24(25(26,27)28)23(33)31(16-18-11-4-2-5-12-18)21(29-24)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,30,32)
InChIKeyJJNDAIKWADAGOG-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.47
Rot. Bonds5

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

N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide (PubChem CID 15987557) 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]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
PubChem CID15987557
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H20F3N3O2/c1-17-10-8-9-15-20(17)22(32)30-24(25(26,27)28)23(33)31(16-18-11-4-2-5-12-18)21(29-24)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,30,32)
InChIKeyJJNDAIKWADAGOG-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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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide (CID 15987557) is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide?
The InChIKey is JJNDAIKWADAGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-17-10-8-9-15-20(17)22(32)30-24(25(26,27)28)23(33)31(16-18-11-4-2-5-12-18)21(29-24)19-13-6-3-7-14-19/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]-2-methylbenzamide?
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 15987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).