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

C20H22F3N3O4 — CID 156823203

IUPAC5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
SMILESCOCC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C20H22F3N3O4/c1-30-10-13(7-19(14-4-5-14)17(28)24-18(29)25-19)16(27)26-8-11-2-3-15(20(21,22)23)6-12(11)9-26/h2-3,6,13-14H,4-5,7-10H2,1H3,(H2,24,25,28,29)
InChIKeyCMFTTWBMMOXWAM-UHFFFAOYSA-N
MW425.41 g/mol
LogP2.19
Rot. Bonds6

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

5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (PubChem CID 156823203) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
PubChem CID156823203
Molecular FormulaC20H22F3N3O4
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC Name5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
SMILESCOCC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C20H22F3N3O4/c1-30-10-13(7-19(14-4-5-14)17(28)24-18(29)25-19)16(27)26-8-11-2-3-15(20(21,22)23)6-12(11)9-26/h2-3,6,13-14H,4-5,7-10H2,1H3,(H2,24,25,28,29)
InChIKeyCMFTTWBMMOXWAM-UHFFFAOYSA-N
XLogP2.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20240299360, Example 30-1
CID 156822866
US20240299360, Example 1
CID 156822884
US20240299360, Example 31-2
CID 156822890
US20240299360, Example 72
CID 156822921
US20240299360, Example 39
CID 156822936
US20240299360, Example 65
CID 156822968
US20240299360, Example 86-1
CID 156822988
US20240299360, Example 49-2
CID 156823189
US20240299360, Example 33
CID 156823205
US20240299360, Example 32
CID 156823252
US20240299360, Example 64-1
CID 156823269
US20240299360, Example 29
CID 156823301

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (CID 156823203) is 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is COCC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1Cc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is CMFTTWBMMOXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4/c1-30-10-13(7-19(14-4-5-14)17(28)24-18(29)25-19)16(27)26-8-11-2-3-15(20(21,22)23)6-12(11)9-26/h2-3,6,13-14H,4-5,7-10H2,1H3,(H2,24,25,28,29).
What are the key properties of 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 425.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).