(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione

C18H19Cl2N3O3 — CID 165179378

IUPAC(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C18H19Cl2N3O3/c1-9(6-18(12-2-3-12)16(25)21-17(26)22-18)15(24)23-7-10-4-13(19)14(20)5-11(10)8-23/h4-5,9,12H,2-3,6-8H2,1H3,(H2,21,22,25,26)/t9?,18-/m0/s1
InChIKeyLDIAENRSEDNGCJ-AHMWTOSDSA-N
MW396.27 g/mol
LogP2.85
Rot. Bonds4

About (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 165179378) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID165179378
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C18H19Cl2N3O3/c1-9(6-18(12-2-3-12)16(25)21-17(26)22-18)15(24)23-7-10-4-13(19)14(20)5-11(10)8-23/h4-5,9,12H,2-3,6-8H2,1H3,(H2,21,22,25,26)/t9?,18-/m0/s1
InChIKeyLDIAENRSEDNGCJ-AHMWTOSDSA-N
XLogP2.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.85
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

5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646019
5-(4-Chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 2999552
N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 24686789
5,6-Dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 11779471
5-(3-(4-(4,5-Dichloro-2-methylphenyl) piperidin-1-yl)-3-oxopropyl)-5-methylimidazolidine-2,4-dione
CID 132221471
2-[(3,4-Dichlorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 9999507
5,6-Dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10426561
5-(4,5-Dichloro-2-methylphenyl)-5-methylimidazolidine-2,4-dione
CID 12392253
5-(3-Chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione
CID 70695193
US20240299360, Example 67-2
CID 156822976
US20240299360, Example 41
CID 156823008
US20240299360, Example 41-1
CID 156823051

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione (CID 165179378) is (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione is CC(C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1.
What is the InChIKey of (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is LDIAENRSEDNGCJ-AHMWTOSDSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-9(6-18(12-2-3-12)16(25)21-17(26)22-18)15(24)23-7-10-4-13(19)14(20)5-11(10)8-23/h4-5,9,12H,2-3,6-8H2,1H3,(H2,21,22,25,26)/t9?,18-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 396.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165179378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).