4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide

C25H18F3N3O3 — CID 18873952

IUPAC4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2C(=O)N/C(=C\c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H18F3N3O3/c26-25(27,28)19-7-4-8-20(14-19)29-22(32)18-11-9-17(10-12-18)15-31-23(33)21(30-24(31)34)13-16-5-2-1-3-6-16/h1-14H,15H2,(H,29,32)(H,30,34)/b21-13-
InChIKeyBXVPSTNACPYERL-BKUYFWCQSA-N
MW465.43 g/mol
LogP5.05
Rot. Bonds5

About 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide

4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 18873952) has the molecular formula C25H18F3N3O3 and a molecular weight of 465.43 g/mol. Its IUPAC name is 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID18873952
Molecular FormulaC25H18F3N3O3
Molecular Weight465.43 g/mol
Exact Mass465.13
IUPAC Name4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2C(=O)N/C(=C\c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H18F3N3O3/c26-25(27,28)19-7-4-8-20(14-19)29-22(32)18-11-9-17(10-12-18)15-31-23(33)21(30-24(31)34)13-16-5-2-1-3-6-16/h1-14H,15H2,(H,29,32)(H,30,34)/b21-13-
InChIKeyBXVPSTNACPYERL-BKUYFWCQSA-N
XLogP5.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.43
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 7897314
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-(4-fluorophenyl)benzamide
CID 18873943
(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 1277904
2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632884
2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 167885181
2-[(4E)-2,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126108576
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632893
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 2187981
(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 126132686
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34199236

Frequently Asked Questions

What is the IUPAC name of 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 18873952) is 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2C(=O)N/C(=C\c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BXVPSTNACPYERL-BKUYFWCQSA-N. The full InChI is InChI=1S/C25H18F3N3O3/c26-25(27,28)19-7-4-8-20(14-19)29-22(32)18-11-9-17(10-12-18)15-31-23(33)21(30-24(31)34)13-16-5-2-1-3-6-16/h1-14H,15H2,(H,29,32)(H,30,34)/b21-13-.
What are the key properties of 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 465.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 18873952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).