N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide

C24H17F3N4O2 — CID 35138236

IUPACN-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(c1ccccc1)n1cc(-c2ccccc2)nc1Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C24H17F3N4O2/c25-24(26,27)22(33)28-18-13-7-8-14-19(18)29-23-30-20(16-9-3-1-4-10-16)15-31(23)21(32)17-11-5-2-6-12-17/h1-15H,(H,28,33)(H,29,30)
InChIKeyDZQGWZPPZBGQFR-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.48
Rot. Bonds5

About N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide

N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 35138236) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID35138236
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC NameN-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(c1ccccc1)n1cc(-c2ccccc2)nc1Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C24H17F3N4O2/c25-24(26,27)22(33)28-18-13-7-8-14-19(18)29-23-30-20(16-9-3-1-4-10-16)15-31(23)21(32)17-11-5-2-6-12-17/h1-15H,(H,28,33)(H,29,30)
InChIKeyDZQGWZPPZBGQFR-UHFFFAOYSA-N
XLogP5.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 2366776
N-[2-[[3-(4-bromophenyl)-1-phenylpyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 4985286
N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
CID 162403367
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide
CID 86291550
N-(2-ethenylphenyl)-2,2,2-trifluoroacetamide
CID 11127643
N-(3,5-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-2,2,2-trifluoroacetamide
CID 155805718
methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate
CID 86629411
N-(2,7-diphenylimidazo[1,2-a][1,3,5]triazin-4-yl)acetamide
CID 11045730
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide
CID 56506611
2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide
CID 15587132

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide (CID 35138236) is N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide is O=C(c1ccccc1)n1cc(-c2ccccc2)nc1Nc1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is DZQGWZPPZBGQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2/c25-24(26,27)22(33)28-18-13-7-8-14-19(18)29-23-30-20(16-9-3-1-4-10-16)15-31(23)21(32)17-11-5-2-6-12-17/h1-15H,(H,28,33)(H,29,30).
What are the key properties of N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 450.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 35138236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).