4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide

C25H20ClF3N4O4 — CID 68766888

IUPAC4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H20ClF3N4O4/c1-24(2)22(35)33(18-7-9-19(10-8-18)37-25(27,28)29)23(36)32(24)14-15-11-12-30-20(13-15)31-21(34)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3,(H,30,31,34)
InChIKeyNTEYPVIYMORJNG-UHFFFAOYSA-N
MW532.91 g/mol
LogP5.63
Rot. Bonds6

About 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide

4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide (PubChem CID 68766888) has the molecular formula C25H20ClF3N4O4 and a molecular weight of 532.91 g/mol. Its IUPAC name is 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide
PubChem CID68766888
Molecular FormulaC25H20ClF3N4O4
Molecular Weight532.91 g/mol
Exact Mass532.11
IUPAC Name4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H20ClF3N4O4/c1-24(2)22(35)33(18-7-9-19(10-8-18)37-25(27,28)29)23(36)32(24)14-15-11-12-30-20(13-15)31-21(34)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3,(H,30,31,34)
InChIKeyNTEYPVIYMORJNG-UHFFFAOYSA-N
XLogP5.63
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.91
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]benzamide
CID 152593823
N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide
CID 69458524
1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea
CID 67199720
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 68914184
3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
CID 141097511
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide
CID 174503768
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
CID 90879070
5,5-dimethyl-1-[[2-(methylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 68765092
5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 59694310
1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 59694313
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 68763812
1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 176737923

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide (CID 68766888) is 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide?
The InChIKey is NTEYPVIYMORJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O4/c1-24(2)22(35)33(18-7-9-19(10-8-18)37-25(27,28)29)23(36)32(24)14-15-11-12-30-20(13-15)31-21(34)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3,(H,30,31,34).
What are the key properties of 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide?
4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide has a molecular weight of 532.91 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 68766888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).