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

C16H18Cl2N4O3 — CID 137467956

IUPAC5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C16H18Cl2N4O3/c17-11-2-1-10(9-12(11)18)21-5-7-22(8-6-21)14(23)4-3-13-15(24)20-16(25)19-13/h1-2,9,13H,3-8H2,(H2,19,20,24,25)
InChIKeyWSKYBQWGBFYCDK-UHFFFAOYSA-N
MW385.25 g/mol
LogP1.63
Rot. Bonds4

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

5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 137467956) has the molecular formula C16H18Cl2N4O3 and a molecular weight of 385.25 g/mol. Its IUPAC name is 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID137467956
Molecular FormulaC16H18Cl2N4O3
Molecular Weight385.25 g/mol
Exact Mass384.08
IUPAC Name5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C16H18Cl2N4O3/c17-11-2-1-10(9-12(11)18)21-5-7-22(8-6-21)14(23)4-3-13-15(24)20-16(25)19-13/h1-2,9,13H,3-8H2,(H2,19,20,24,25)
InChIKeyWSKYBQWGBFYCDK-UHFFFAOYSA-N
XLogP1.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
6-(4-(3,4-dichlorophenyl)piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 72894274
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905880
3-[4-(3,4-Dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3155911
((2S,4S)-4-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439340
N-(3,4-Dichlorophenyl)-4-{[(2R)-4-isopropylpiperazin-2-yl]carbonyl}piperazine-1-carboxamide
CID 57656833
4-[(2R)(4-Cyclopropylpiperazin-2-yl)carbonyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 57656854
N-(3,4-Dichlorophenyl)-4-{[(2R)-4-ethylpiperazin-2-yl]carbonyl}piperazine-1-carboxamide
CID 57656871
N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide
CID 67220645
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclobutylimidazolidine-2,4-dione
CID 121437752
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437795

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 137467956) is 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)N1.
What is the InChIKey of 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is WSKYBQWGBFYCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O3/c17-11-2-1-10(9-12(11)18)21-5-7-22(8-6-21)14(23)4-3-13-15(24)20-16(25)19-13/h1-2,9,13H,3-8H2,(H2,19,20,24,25).
What are the key properties of 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 385.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 137467956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).