5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione

C19H19Cl2N5O4 — CID 137468089

IUPAC5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)(c2cocn2)N1
InChIInChI=1S/C19H19Cl2N5O4/c20-12-7-13(21)9-14(8-12)25-3-5-26(6-4-25)16(27)1-2-19(15-10-30-11-22-15)17(28)23-18(29)24-19/h7-11H,1-6H2,(H2,23,24,28,29)
InChIKeyDCYFMGUTYIOSEI-UHFFFAOYSA-N
MW452.30 g/mol
LogP2.15
Rot. Bonds5

About 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione

5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione (PubChem CID 137468089) has the molecular formula C19H19Cl2N5O4 and a molecular weight of 452.30 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione
PubChem CID137468089
Molecular FormulaC19H19Cl2N5O4
Molecular Weight452.30 g/mol
Exact Mass451.08
IUPAC Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)(c2cocn2)N1
InChIInChI=1S/C19H19Cl2N5O4/c20-12-7-13(21)9-14(8-12)25-3-5-26(6-4-25)16(27)1-2-19(15-10-30-11-22-15)17(28)23-18(29)24-19/h7-11H,1-6H2,(H2,23,24,28,29)
InChIKeyDCYFMGUTYIOSEI-UHFFFAOYSA-N
XLogP2.15
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
5-(aminomethyl)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437901
3-[4-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 174993219
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(4-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 137468170
(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121449011
5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione
CID 137468299
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[4-[(dimethylamino)methyl]phenyl]imidazolidine-2,4-dione
CID 121437807
(5S)-5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 163640973
5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 156823207
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 113080325
2-[4-[3-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]acetic acid;ethane
CID 145108957

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione (CID 137468089) is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)(c2cocn2)N1.
What is the InChIKey of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is DCYFMGUTYIOSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O4/c20-12-7-13(21)9-14(8-12)25-3-5-26(6-4-25)16(27)1-2-19(15-10-30-11-22-15)17(28)23-18(29)24-19/h7-11H,1-6H2,(H2,23,24,28,29).
What are the key properties of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione?
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 452.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 137468089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).