5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C19H18F3N3O3 — CID 59694310

IUPAC5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCc1cc(OC(F)(F)F)ccc1N1C(=O)N(Cc2ccncc2)C(C)(C)C1=O
InChIInChI=1S/C19H18F3N3O3/c1-12-10-14(28-19(20,21)22)4-5-15(12)25-16(26)18(2,3)24(17(25)27)11-13-6-8-23-9-7-13/h4-10H,11H2,1-3H3
InChIKeyPWPSAYSOVUQPRA-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.04
Rot. Bonds4

About 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 59694310) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID59694310
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCc1cc(OC(F)(F)F)ccc1N1C(=O)N(Cc2ccncc2)C(C)(C)C1=O
InChIInChI=1S/C19H18F3N3O3/c1-12-10-14(28-19(20,21)22)4-5-15(12)25-16(26)18(2,3)24(17(25)27)11-13-6-8-23-9-7-13/h4-10H,11H2,1-3H3
InChIKeyPWPSAYSOVUQPRA-UHFFFAOYSA-N
XLogP4.04
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide
CID 142686805
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-fluoroethylamino)acetamide
CID 11627406
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 11657512
2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 11585347
4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 68766888
3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 59694265
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-pyridin-3-ylacetamide
CID 66915793
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 11541846
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 11556476
3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 23110272
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 66915868
5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 11620164

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 59694310) is 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is Cc1cc(OC(F)(F)F)ccc1N1C(=O)N(Cc2ccncc2)C(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is PWPSAYSOVUQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-12-10-14(28-19(20,21)22)4-5-15(12)25-16(26)18(2,3)24(17(25)27)11-13-6-8-23-9-7-13/h4-10H,11H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 393.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59694310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).