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

C19H24F2N4O4 — CID 121437593

IUPAC5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
SMILESCOCC1(CC(C)C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H24F2N4O4/c1-12(10-19(11-29-2)17(27)22-18(28)23-19)16(26)25-7-5-24(6-8-25)13-3-4-14(20)15(21)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,22,23,27,28)
InChIKeyKISNQJUMQDMWMF-UHFFFAOYSA-N
MW410.42 g/mol
LogP0.86
Rot. Bonds6

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

5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione (PubChem CID 121437593) has the molecular formula C19H24F2N4O4 and a molecular weight of 410.42 g/mol. Its IUPAC name is 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
PubChem CID121437593
Molecular FormulaC19H24F2N4O4
Molecular Weight410.42 g/mol
Exact Mass410.18
IUPAC Name5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
SMILESCOCC1(CC(C)C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H24F2N4O4/c1-12(10-19(11-29-2)17(27)22-18(28)23-19)16(26)25-7-5-24(6-8-25)13-3-4-14(20)15(21)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,22,23,27,28)
InChIKeyKISNQJUMQDMWMF-UHFFFAOYSA-N
XLogP0.86
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437888
5-Methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 121437897
5-Methyl-5-[3-(3-methyl-4-phenylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 121437823
5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437573
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437586
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-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437621
5-[3-[4-(3,5-Difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437657
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437714
5-[3-[4-(3,4-Difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437718
5-[3-[4-(3-Fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437772
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437786

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione (CID 121437593) is 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione is COCC1(CC(C)C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione?
The InChIKey is KISNQJUMQDMWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O4/c1-12(10-19(11-29-2)17(27)22-18(28)23-19)16(26)25-7-5-24(6-8-25)13-3-4-14(20)15(21)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,22,23,27,28).
What are the key properties of 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione?
5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione has a molecular weight of 410.42 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 121437593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).