5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C18H22ClFN4O3 — CID 121437571

IUPAC5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1c(Cl)cc(F)cc1N1CCN(C(=O)CCC2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H22ClFN4O3/c1-11-13(19)9-12(20)10-14(11)23-5-7-24(8-6-23)15(25)3-4-18(2)16(26)21-17(27)22-18/h9-10H,3-8H2,1-2H3,(H2,21,22,26,27)
InChIKeyWSOBBSRVNOGVDE-UHFFFAOYSA-N
MW396.85 g/mol
LogP1.81
Rot. Bonds4

About 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437571) has the molecular formula C18H22ClFN4O3 and a molecular weight of 396.85 g/mol. Its IUPAC name is 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437571
Molecular FormulaC18H22ClFN4O3
Molecular Weight396.85 g/mol
Exact Mass396.14
IUPAC Name5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1c(Cl)cc(F)cc1N1CCN(C(=O)CCC2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H22ClFN4O3/c1-11-13(19)9-12(20)10-14(11)23-5-7-24(8-6-23)15(25)3-4-18(2)16(26)21-17(27)22-18/h9-10H,3-8H2,1-2H3,(H2,21,22,26,27)
InChIKeyWSOBBSRVNOGVDE-UHFFFAOYSA-N
XLogP1.81
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 51.81
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

8-[(2,6-Dichlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190599
8-[(2,6-Dichlorophenyl)methyl]-3-[2-(ethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190600
N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4779526
N-(4-chloro-2-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 5227138
N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
CID 46939321
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-phenyl-prolinamide
CID 49864874
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
5-Cyclopropyl-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437693
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclobutylimidazolidine-2,4-dione
CID 121437752
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437768
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437795
(5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437821

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437571) is 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is Cc1c(Cl)cc(F)cc1N1CCN(C(=O)CCC2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WSOBBSRVNOGVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O3/c1-11-13(19)9-12(20)10-14(11)23-5-7-24(8-6-23)15(25)3-4-18(2)16(26)21-17(27)22-18/h9-10H,3-8H2,1-2H3,(H2,21,22,26,27).
What are the key properties of 5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(3-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 396.85 g/mol, XLogP of 1.81, 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-chloro-5-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).