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

C19H25FN4O3 — CID 121437672

IUPAC5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(F)cc1N1CCN(C(=O)C(C)CC2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H25FN4O3/c1-12-4-5-14(20)10-15(12)23-6-8-24(9-7-23)16(25)13(2)11-19(3)17(26)21-18(27)22-19/h4-5,10,13H,6-9,11H2,1-3H3,(H2,21,22,26,27)
InChIKeyHYOFXPHIEQTJFW-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.41
Rot. Bonds4

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

5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437672) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437672
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(F)cc1N1CCN(C(=O)C(C)CC2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H25FN4O3/c1-12-4-5-14(20)10-15(12)23-6-8-24(9-7-23)16(25)13(2)11-19(3)17(26)21-18(27)22-19/h4-5,10,13H,6-9,11H2,1-3H3,(H2,21,22,26,27)
InChIKeyHYOFXPHIEQTJFW-UHFFFAOYSA-N
XLogP1.41
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.41
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

5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 137468071
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119887891
5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 137467911
5-[3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 137467951
5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
CID 121437938
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437714
(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121449011
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
5-[3-[4-(4-fluoro-3,5-dimethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 155773708
5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one
CID 137468095
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437672) is 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is Cc1ccc(F)cc1N1CCN(C(=O)C(C)CC2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HYOFXPHIEQTJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-12-4-5-14(20)10-15(12)23-6-8-24(9-7-23)16(25)13(2)11-19(3)17(26)21-18(27)22-19/h4-5,10,13H,6-9,11H2,1-3H3,(H2,21,22,26,27).
What are the key properties of 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 376.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).