5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one

C19H22F3N3O3 — CID 156823273

IUPAC5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one
SMILESCC(C)C(=O)N1Cc2ccc(C(F)(F)F)cc2C1.O=C1NC(=O)C(C2CC2)N1
InChIInChI=1S/C13H14F3NO.C6H8N2O2/c1-8(2)12(18)17-6-9-3-4-11(13(14,15)16)5-10(9)7-17;9-5-4(3-1-2-3)7-6(10)8-5/h3-5,8H,6-7H2,1-2H3;3-4H,1-2H2,(H2,7,8,9,10)
InChIKeyCMQIYIWMRWBWOG-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.81
Rot. Bonds2

About 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one

5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one (PubChem CID 156823273) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one.

Molecular Properties

Compound Name5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one
PubChem CID156823273
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one
SMILESCC(C)C(=O)N1Cc2ccc(C(F)(F)F)cc2C1.O=C1NC(=O)C(C2CC2)N1
InChIInChI=1S/C13H14F3NO.C6H8N2O2/c1-8(2)12(18)17-6-9-3-4-11(13(14,15)16)5-10(9)7-17;9-5-4(3-1-2-3)7-6(10)8-5/h3-5,8H,6-7H2,1-2H3;3-4H,1-2H2,(H2,7,8,9,10)
InChIKeyCMQIYIWMRWBWOG-UHFFFAOYSA-N
XLogP2.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole
CID 23646017
5-methyl-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646018
US9815796, Example 208
CID 139268139
US9815796, Example 231
CID 139268162
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-1-[2-(dimethylcarbamoylamino)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 165139553
(2S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140815
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 169551304
(5s)-3-(4-Tert-Butylbenzyl)-5-(Propan-2-Yl)imidazolidine-2,4-Dione
CID 26201581
(2S,3S)-2-amino-3-methyl-1-(5-methylisoindolin-2-yl)pentan-1-one
CID 44560454
(2S,3R)-2-amino-3-methyl-1-(5-methylisoindolin-2-yl)pentan-1-one
CID 44560596
(4S)-1,3-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71450796
(4S)-3-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71456132

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one?
The IUPAC name of 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one (CID 156823273) is 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one.
What is the SMILES notation for 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one?
The canonical SMILES for 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one is CC(C)C(=O)N1Cc2ccc(C(F)(F)F)cc2C1.O=C1NC(=O)C(C2CC2)N1.
What is the InChIKey of 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one?
The InChIKey is CMQIYIWMRWBWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO.C6H8N2O2/c1-8(2)12(18)17-6-9-3-4-11(13(14,15)16)5-10(9)7-17;9-5-4(3-1-2-3)7-6(10)8-5/h3-5,8H,6-7H2,1-2H3;3-4H,1-2H2,(H2,7,8,9,10).
What are the key properties of 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one?
5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one has a molecular weight of 397.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylimidazolidine-2,4-dione;2-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propan-1-one is sourced from PubChem (CID 156823273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).