3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C24H26ClFN4O4 — CID 55519050

IUPAC3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(CCOc3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C24H26ClFN4O4/c1-24(17-6-8-18(26)9-7-17)22(32)30(23(33)27-24)16-21(31)29-12-10-28(11-13-29)14-15-34-20-5-3-2-4-19(20)25/h2-9H,10-16H2,1H3,(H,27,33)
InChIKeyASKNWYOBNAUYLD-UHFFFAOYSA-N
MW488.95 g/mol
LogP2.47
Rot. Bonds7

About 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 55519050) has the molecular formula C24H26ClFN4O4 and a molecular weight of 488.95 g/mol. Its IUPAC name is 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID55519050
Molecular FormulaC24H26ClFN4O4
Molecular Weight488.95 g/mol
Exact Mass488.16
IUPAC Name3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(CCOc3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C24H26ClFN4O4/c1-24(17-6-8-18(26)9-7-17)22(32)30(23(33)27-24)16-21(31)29-12-10-28(11-13-29)14-15-34-20-5-3-2-4-19(20)25/h2-9H,10-16H2,1H3,(H,27,33)
InChIKeyASKNWYOBNAUYLD-UHFFFAOYSA-N
XLogP2.47
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46523676
3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43044254
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709558
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
tert-butyl 4-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46419163
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
3-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 43012490
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 46516528
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 55519050) is 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(CCOc3ccccc3Cl)CC2)C1=O.
What is the InChIKey of 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ASKNWYOBNAUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O4/c1-24(17-6-8-18(26)9-7-17)22(32)30(23(33)27-24)16-21(31)29-12-10-28(11-13-29)14-15-34-20-5-3-2-4-19(20)25/h2-9H,10-16H2,1H3,(H,27,33).
What are the key properties of 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 488.95 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 55519050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).