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

C17H17Cl2N3O3 — CID 156823260

IUPAC(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCC(=O)N2Cc3cc(Cl)c(Cl)cc3C2)(C2CC2)N1
InChIInChI=1S/C17H17Cl2N3O3/c18-12-5-9-7-22(8-10(9)6-13(12)19)14(23)3-4-17(11-1-2-11)15(24)20-16(25)21-17/h5-6,11H,1-4,7-8H2,(H2,20,21,24,25)/t17-/m0/s1
InChIKeyFWVMIBWFTPZCBI-KRWDZBQOSA-N
MW382.25 g/mol
LogP2.60
Rot. Bonds4

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

(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156823260) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156823260
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCC(=O)N2Cc3cc(Cl)c(Cl)cc3C2)(C2CC2)N1
InChIInChI=1S/C17H17Cl2N3O3/c18-12-5-9-7-22(8-10(9)6-13(12)19)14(23)3-4-17(11-1-2-11)15(24)20-16(25)21-17/h5-6,11H,1-4,7-8H2,(H2,20,21,24,25)/t17-/m0/s1
InChIKeyFWVMIBWFTPZCBI-KRWDZBQOSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.60
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
N-[(3,4-dichlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 24686789
5-(3-(4-(4,5-Dichloro-2-methylphenyl) piperidin-1-yl)-3-oxopropyl)-5-methylimidazolidine-2,4-dione
CID 132221471
5,6-Dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10426561
(7S)-8-[2-(3,4-dichlorophenyl)acetyl]-7-(pyrrolidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 44310487
(7R)-8-[2-(3,4-dichlorophenyl)acetyl]-7-(pyrrolidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 44310489
US20240299360, Example 41
CID 156823008
US20240299360, Example 41-1
CID 156823051
US20240299360, Example 40
CID 156823160
US20240299360, Example 71-1
CID 156823206
3-[[(3,4-Dichlorophenyl)methyl-methylamino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4882219
5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 11611199

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 156823260) is (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-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)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CCC(=O)N2Cc3cc(Cl)c(Cl)cc3C2)(C2CC2)N1.
What is the InChIKey of (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is FWVMIBWFTPZCBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c18-12-5-9-7-22(8-10(9)6-13(12)19)14(23)3-4-17(11-1-2-11)15(24)20-16(25)21-17/h5-6,11H,1-4,7-8H2,(H2,20,21,24,25)/t17-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 382.25 g/mol, XLogP of 2.60, 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)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).