5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione

C24H30N4O3 — CID 10598329

IUPAC5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CC3NC(=O)NC3=O)c2)CC1
InChIInChI=1S/C24H30N4O3/c1-17(2)31-22-9-4-3-8-21(22)28-12-10-27(11-13-28)16-19-7-5-6-18(14-19)15-20-23(29)26-24(30)25-20/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H2,25,26,29,30)
InChIKeyQCGLPBJBMLGTBV-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.55
Rot. Bonds7

About 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione

5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 10598329) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID10598329
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CC3NC(=O)NC3=O)c2)CC1
InChIInChI=1S/C24H30N4O3/c1-17(2)31-22-9-4-3-8-21(22)28-12-10-27(11-13-28)16-19-7-5-6-18(14-19)15-20-23(29)26-24(30)25-20/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H2,25,26,29,30)
InChIKeyQCGLPBJBMLGTBV-UHFFFAOYSA-N
XLogP2.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 10622766
but-2-enedioic acid;1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 160762853
but-2-enedioic acid;1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
CID 70152371
(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
CID 58692272
(5R)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 25355650
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
CID 102379277
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
CID 10836245
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10644841
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 45228691
ethyl (4R)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-4-(4-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92661215

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione (CID 10598329) is 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione is CC(C)Oc1ccccc1N1CCN(Cc2cccc(CC3NC(=O)NC3=O)c2)CC1.
What is the InChIKey of 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is QCGLPBJBMLGTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17(2)31-22-9-4-3-8-21(22)28-12-10-27(11-13-28)16-19-7-5-6-18(14-19)15-20-23(29)26-24(30)25-20/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H2,25,26,29,30).
What are the key properties of 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione?
5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 422.53 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10598329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).