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

C22H17F3N4O3S — CID 175802110

IUPACN-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ncsc1[C@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C22H17F3N4O3S/c1-12-17(33-11-27-12)21(19(31)28-20(32)29-21)10-26-18(30)16-5-3-2-4-15(16)13-6-8-14(9-7-13)22(23,24)25/h2-9,11H,10H2,1H3,(H,26,30)(H2,28,29,31,32)/t21-/m0/s1
InChIKeySFSZDXMLVNGBPU-NRFANRHFSA-N
MW474.46 g/mol
LogP3.60
Rot. Bonds5

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

N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 175802110) has the molecular formula C22H17F3N4O3S and a molecular weight of 474.46 g/mol. Its IUPAC name is N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID175802110
Molecular FormulaC22H17F3N4O3S
Molecular Weight474.46 g/mol
Exact Mass474.10
IUPAC NameN-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ncsc1[C@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C22H17F3N4O3S/c1-12-17(33-11-27-12)21(19(31)28-20(32)29-21)10-26-18(30)16-5-3-2-4-15(16)13-6-8-14(9-7-13)22(23,24)25/h2-9,11H,10H2,1H3,(H,26,30)(H2,28,29,31,32)/t21-/m0/s1
InChIKeySFSZDXMLVNGBPU-NRFANRHFSA-N
XLogP3.60
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 156738814
4-fluoro-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 156738809
N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 175801914
N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 175802227
4-fluoro-N-[[(4R)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 172873284
N-[(5-hydroxy-2-oxo-4-phenylimidazolidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 156738815
4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 167327970
N-[(4-cyclopentyl-5-hydroxy-2-oxoimidazolidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 156738817
3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 170836223
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 175802110) is N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1ncsc1[C@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O.
What is the InChIKey of N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SFSZDXMLVNGBPU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H17F3N4O3S/c1-12-17(33-11-27-12)21(19(31)28-20(32)29-21)10-26-18(30)16-5-3-2-4-15(16)13-6-8-14(9-7-13)22(23,24)25/h2-9,11H,10H2,1H3,(H,26,30)(H2,28,29,31,32)/t21-/m0/s1.
What are the key properties of N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 474.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 175802110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).