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

C18H22Cl2N4O4 — CID 121437747

IUPAC5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CC(CO)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C18H22Cl2N4O4/c1-18(16(27)21-17(28)22-18)9-11(10-25)15(26)24-4-2-23(3-5-24)14-7-12(19)6-13(20)8-14/h6-8,11,25H,2-5,9-10H2,1H3,(H2,21,22,27,28)
InChIKeyLHKXLEZLEFHFJV-UHFFFAOYSA-N
MW429.30 g/mol
LogP1.24
Rot. Bonds5

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

5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437747) has the molecular formula C18H22Cl2N4O4 and a molecular weight of 429.30 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437747
Molecular FormulaC18H22Cl2N4O4
Molecular Weight429.30 g/mol
Exact Mass428.10
IUPAC Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CC(CO)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C18H22Cl2N4O4/c1-18(16(27)21-17(28)22-18)9-11(10-25)15(26)24-4-2-23(3-5-24)14-7-12(19)6-13(20)8-14/h6-8,11,25H,2-5,9-10H2,1H3,(H2,21,22,27,28)
InChIKeyLHKXLEZLEFHFJV-UHFFFAOYSA-N
XLogP1.24
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437795
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437888
5-[2-[4-(3,5-Dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione
CID 121448880
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134368738
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437615
5-[3-[(3S)-4-(3-chloro-5-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437836
5-[3-[(3S)-4-(3-chloro-5-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437879
5-[3-[4-(4-Chloro-3,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
CID 121437890
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437934
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437990

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437747) is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione is CC1(CC(CO)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is LHKXLEZLEFHFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O4/c1-18(16(27)21-17(28)22-18)9-11(10-25)15(26)24-4-2-23(3-5-24)14-7-12(19)6-13(20)8-14/h6-8,11,25H,2-5,9-10H2,1H3,(H2,21,22,27,28).
What are the key properties of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 429.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(hydroxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).