1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione

C17H16F3N3O3 — CID 9236250

IUPAC1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CC(F)(F)F)C(=O)N1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)10-22-14(24)15(25)23(16(22)26)11-21-8-6-13(7-9-21)12-4-2-1-3-5-12/h1-6H,7-11H2
InChIKeyZUJCZYWFURYTFB-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.09
Rot. Bonds4

About 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione

1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione (PubChem CID 9236250) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione
PubChem CID9236250
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CC(F)(F)F)C(=O)N1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)10-22-14(24)15(25)23(16(22)26)11-21-8-6-13(7-9-21)12-4-2-1-3-5-12/h1-6H,7-11H2
InChIKeyZUJCZYWFURYTFB-UHFFFAOYSA-N
XLogP2.09
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 16606859
(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione
CID 9236237
4-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione
CID 34853456
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
CID 15101112
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole
CID 2487038
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide
CID 9235992
4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione
CID 19813033
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 55989486
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
CID 10015917
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione (CID 9236250) is 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(CC(F)(F)F)C(=O)N1CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione?
The InChIKey is ZUJCZYWFURYTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)10-22-14(24)15(25)23(16(22)26)11-21-8-6-13(7-9-21)12-4-2-1-3-5-12/h1-6H,7-11H2.
What are the key properties of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione?
1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione has a molecular weight of 367.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 9236250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).