1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

C17H13F3N2O3 — CID 130405851

IUPAC1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2ccccc2)C(c2cccc(C(F)(F)F)c2)N1O
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)13-8-4-7-12(9-13)15-21(10-14(23)22(15)25)16(24)11-5-2-1-3-6-11/h1-9,15,25H,10H2
InChIKeyKDNAARNFNBRRTM-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.08
Rot. Bonds2

About 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 130405851) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID130405851
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2ccccc2)C(c2cccc(C(F)(F)F)c2)N1O
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)13-8-4-7-12(9-13)15-21(10-14(23)22(15)25)16(24)11-5-2-1-3-6-11/h1-9,15,25H,10H2
InChIKeyKDNAARNFNBRRTM-UHFFFAOYSA-N
XLogP3.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 130405713
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 100659503
(2S,3aR,9aS)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-3,3a,4,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-5-one
CID 110130826
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
(4aR,9aR)-5-methyl-1-[3-(trifluoromethyl)benzoyl]-2,3,4,4a,7,8,9,9a-octahydropyrido[3,2-b]azepin-6-one
CID 110124796
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120743867
[3,4-dimethyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-5-yl]-phenylmethanone
CID 110528765
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 5435305

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 130405851) is 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is O=C1CN(C(=O)c2ccccc2)C(c2cccc(C(F)(F)F)c2)N1O.
What is the InChIKey of 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is KDNAARNFNBRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)13-8-4-7-12(9-13)15-21(10-14(23)22(15)25)16(24)11-5-2-1-3-6-11/h1-9,15,25H,10H2.
What are the key properties of 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 350.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 130405851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).