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

C19H18F3N3O3 — CID 10051949

IUPAC5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C1(C)C
InChIInChI=1S/C19H18F3N3O3/c1-12-10-23-9-8-13(12)11-24-17(27)25(16(26)18(24,2)3)14-4-6-15(7-5-14)28-19(20,21)22/h4-10H,11H2,1-3H3
InChIKeyAJUCQRLPLJBTBA-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.04
Rot. Bonds4

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

5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 10051949) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID10051949
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C1(C)C
InChIInChI=1S/C19H18F3N3O3/c1-12-10-23-9-8-13(12)11-24-17(27)25(16(26)18(24,2)3)14-4-6-15(7-5-14)28-19(20,21)22/h4-10H,11H2,1-3H3
InChIKeyAJUCQRLPLJBTBA-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'}

Analyze 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2962313
1-(4-Pyridyl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
CID 493080
4-(1H-pyrrol-1-yl)-N-(4-(trifluoromethoxy)phenyl)piperidine-1-carboxamide
CID 24744859
1-(4-Pyridyl)-3-[7-[4-(trifluoromethyl)phenoxy]heptyl]imidazolidin-2-one
CID 493082
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(4-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]acetamide
CID 2936303
1-[4-(4-Methoxyphenyl)piperazin-1-YL]-3-phenyl-2-(1H-pyrrol-1-YL)propan-1-one
CID 5307622
N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 2962312
(5Z)-3-(4-methoxyphenyl)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one
CID 12004506
1-(3-Pyridyl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
CID 493113
1-[4-(Trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 2800832
1-((2-Ethoxypyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54587319
N-[4-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510528

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 10051949) is 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is Cc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C1(C)C.
What is the InChIKey of 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is AJUCQRLPLJBTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-12-10-23-9-8-13(12)11-24-17(27)25(16(26)18(24,2)3)14-4-6-15(7-5-14)28-19(20,21)22/h4-10H,11H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]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-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10051949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).