5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione

C20H18F3N5O3 — CID 156823098

IUPAC5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCc1cc2c(cc1C(F)(F)F)CN(C(=O)CCC1(c3cnccn3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H18F3N5O3/c1-11-6-12-9-28(10-13(12)7-14(11)20(21,22)23)16(29)2-3-19(15-8-24-4-5-25-15)17(30)26-18(31)27-19/h4-8H,2-3,9-10H2,1H3,(H2,26,27,30,31)
InChIKeyDQFUUVADHMREHS-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.16
Rot. Bonds4

About 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione

5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione (PubChem CID 156823098) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
PubChem CID156823098
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCc1cc2c(cc1C(F)(F)F)CN(C(=O)CCC1(c3cnccn3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H18F3N5O3/c1-11-6-12-9-28(10-13(12)7-14(11)20(21,22)23)16(29)2-3-19(15-8-24-4-5-25-15)17(30)26-18(31)27-19/h4-8H,2-3,9-10H2,1H3,(H2,26,27,30,31)
InChIKeyDQFUUVADHMREHS-UHFFFAOYSA-N
XLogP2.16
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 156823207
(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one
CID 166705257
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437579
(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822915
(5R)-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 88974012
(5S)-5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 163640973
(5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride
CID 175802322
(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822921
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1,5-dimethyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 163908439
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437598
5-(cyclopropylidenemethyl)-5-[3-oxo-3-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156823046

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione (CID 156823098) is 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione is Cc1cc2c(cc1C(F)(F)F)CN(C(=O)CCC1(c3cnccn3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?
The InChIKey is DQFUUVADHMREHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-11-6-12-9-28(10-13(12)7-14(11)20(21,22)23)16(29)2-3-19(15-8-24-4-5-25-15)17(30)26-18(31)27-19/h4-8H,2-3,9-10H2,1H3,(H2,26,27,30,31).
What are the key properties of 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?
5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione has a molecular weight of 433.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 156823098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).