(5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione

C19H19ClF3N3O4 — CID 156823223

IUPAC(5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](C[C@@H](CO)C(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)N1
InChIInChI=1S/C19H19ClF3N3O4/c20-14-4-10-7-26(6-9(10)3-13(14)19(21,22)23)15(28)11(8-27)5-18(12-1-2-12)16(29)24-17(30)25-18/h3-4,11-12,27H,1-2,5-8H2,(H2,24,25,29,30)/t11-,18+/m0/s1
InChIKeySFQHPECSYRCUKU-BBATYDOGSA-N
MW445.83 g/mol
LogP2.19
Rot. Bonds5

About (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione

(5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione (PubChem CID 156823223) has the molecular formula C19H19ClF3N3O4 and a molecular weight of 445.83 g/mol. Its IUPAC name is (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
PubChem CID156823223
Molecular FormulaC19H19ClF3N3O4
Molecular Weight445.83 g/mol
Exact Mass445.10
IUPAC Name(5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](C[C@@H](CO)C(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)N1
InChIInChI=1S/C19H19ClF3N3O4/c20-14-4-10-7-26(6-9(10)3-13(14)19(21,22)23)15(28)11(8-27)5-18(12-1-2-12)16(29)24-17(30)25-18/h3-4,11-12,27H,1-2,5-8H2,(H2,24,25,29,30)/t11-,18+/m0/s1
InChIKeySFQHPECSYRCUKU-BBATYDOGSA-N
XLogP2.19
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.83
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-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 86-1
CID 156822988
US20240299360, Example 41
CID 156823008
US20240299360, Example 41-1
CID 156823051
US20240299360, Example 40
CID 156823160
US20240299360, Example 71-1
CID 156823206
(5S)-5-[(2R)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 156822863
1-[5-Chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-hydroxy-2-methylpropan-1-one;5-cyclopropylimidazolidine-2,4-dione;ethane
CID 156823126
5-[3-[5-Chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxo-2-(phenylmethoxymethyl)propyl]-5-cyclopropylimidazolidine-2,4-dione
CID 156823134
5-Cyclopropyl-5-[2-(methoxymethyl)-3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156823203
(5R)-5-[(2R)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 156823240
5-[3-[5-Chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]imidazolidin-5-ide-2,4-dione;vanadium
CID 156823290
[4-[3-[5-Chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl 4-methylpiperazine-1-carboxylate
CID 165399072

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione (CID 156823223) is (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione is O=C1NC(=O)[C@@](C[C@@H](CO)C(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)N1.
What is the InChIKey of (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The InChIKey is SFQHPECSYRCUKU-BBATYDOGSA-N. The full InChI is InChI=1S/C19H19ClF3N3O4/c20-14-4-10-7-26(6-9(10)3-13(14)19(21,22)23)15(28)11(8-27)5-18(12-1-2-12)16(29)24-17(30)25-18/h3-4,11-12,27H,1-2,5-8H2,(H2,24,25,29,30)/t11-,18+/m0/s1.
What are the key properties of (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
(5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione has a molecular weight of 445.83 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 156823223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).