(5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione

C19H20F3N3O3 — CID 156823269

IUPAC(5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
SMILESCC1([C@@]2(CCC(=O)N3Cc4ccc(C(F)(F)F)cc4C3)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H20F3N3O3/c1-17(6-7-17)18(15(27)23-16(28)24-18)5-4-14(26)25-9-11-2-3-13(19(20,21)22)8-12(11)10-25/h2-3,8H,4-7,9-10H2,1H3,(H2,23,24,27,28)/t18-/m0/s1
InChIKeyALDHNIAORPZUFG-SFHVURJKSA-N
MW395.38 g/mol
LogP2.71
Rot. Bonds4

About (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione

(5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (PubChem CID 156823269) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
PubChem CID156823269
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name(5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
SMILESCC1([C@@]2(CCC(=O)N3Cc4ccc(C(F)(F)F)cc4C3)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H20F3N3O3/c1-17(6-7-17)18(15(27)23-16(28)24-18)5-4-14(26)25-9-11-2-3-13(19(20,21)22)8-12(11)10-25/h2-3,8H,4-7,9-10H2,1H3,(H2,23,24,27,28)/t18-/m0/s1
InChIKeyALDHNIAORPZUFG-SFHVURJKSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[(2,5-Dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2662563
US20240299360, Example 30-1
CID 156822866
US20240299360, Example 1
CID 156822884
US20240299360, Example 31-2
CID 156822890
US20240299360, Example 59
CID 156822895
US20240299360, Example 72
CID 156822921
US20240299360, Example 39
CID 156822936
US20240299360, Example 41
CID 156823008
US20240299360, Example 17
CID 156823009
US20240299360, Example 41-1
CID 156823051
US20240299360, Example 19
CID 156823112
US20240299360, Example 40
CID 156823160

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (CID 156823269) is (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is CC1([C@@]2(CCC(=O)N3Cc4ccc(C(F)(F)F)cc4C3)NC(=O)NC2=O)CC1.
What is the InChIKey of (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is ALDHNIAORPZUFG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-17(6-7-17)18(15(27)23-16(28)24-18)5-4-14(26)25-9-11-2-3-13(19(20,21)22)8-12(11)10-25/h2-3,8H,4-7,9-10H2,1H3,(H2,23,24,27,28)/t18-/m0/s1.
What are the key properties of (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
(5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 395.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-methylcyclopropyl)-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).