(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C22H26N4O3 — CID 2455635

IUPAC(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-22(17-6-4-3-5-7-17)20(27)26(21(28)23-22)16-24-12-14-25(15-13-24)18-8-10-19(29-2)11-9-18/h3-11H,12-16H2,1-2H3,(H,23,28)/t22-/m0/s1
InChIKeyJQGZPUWKLPQXBL-QFIPXVFZSA-N
MW394.48 g/mol
LogP2.24
Rot. Bonds5

About (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 2455635) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID2455635
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-22(17-6-4-3-5-7-17)20(27)26(21(28)23-22)16-24-12-14-25(15-13-24)18-8-10-19(29-2)11-9-18/h3-11H,12-16H2,1-2H3,(H,23,28)/t22-/m0/s1
InChIKeyJQGZPUWKLPQXBL-QFIPXVFZSA-N
XLogP2.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55351953
(5R)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455632
(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2573818
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30629728
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 4882608
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 2641564
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 92786687
(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 51565311
(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056015
(5R)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056016

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 2455635) is (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)CC2)cc1.
What is the InChIKey of (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is JQGZPUWKLPQXBL-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(17-6-4-3-5-7-17)20(27)26(21(28)23-22)16-24-12-14-25(15-13-24)18-8-10-19(29-2)11-9-18/h3-11H,12-16H2,1-2H3,(H,23,28)/t22-/m0/s1.
What are the key properties of (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 394.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2455635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).