3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C19H16F3N3O3 — CID 166197842

IUPAC3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1Cc1ccncc1OCC(F)(F)F
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)11-28-15-9-23-8-6-13(15)10-25-16(26)18(24-17(25)27)7-5-12-3-1-2-4-14(12)18/h1-4,6,8-9H,5,7,10-11H2,(H,24,27)
InChIKeySFEPNIXVHLIQFL-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.92
Rot. Bonds4

About 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 166197842) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID166197842
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1Cc1ccncc1OCC(F)(F)F
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)11-28-15-9-23-8-6-13(15)10-25-16(26)18(24-17(25)27)7-5-12-3-1-2-4-14(12)18/h1-4,6,8-9H,5,7,10-11H2,(H,24,27)
InChIKeySFEPNIXVHLIQFL-UHFFFAOYSA-N
XLogP2.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 99616144
(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 40777756
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
3'-[(5-chloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 86815731
(4S)-3'-[(2-fluorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705970
3'-[(3,5-dichloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166201393
(3S)-3'-[(4-tert-butylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40857295
(3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2662576
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 3989090
(3R)-3'-(3-phenoxypropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40855940
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140

Frequently Asked Questions

What is the IUPAC name of 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 166197842) is 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc32)C(=O)N1Cc1ccncc1OCC(F)(F)F.
What is the InChIKey of 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is SFEPNIXVHLIQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)11-28-15-9-23-8-6-13(15)10-25-16(26)18(24-17(25)27)7-5-12-3-1-2-4-14(12)18/h1-4,6,8-9H,5,7,10-11H2,(H,24,27).
What are the key properties of 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 391.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 166197842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).