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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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).