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

C22H26N4O3 — CID 51565311

IUPAC(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-19-9-7-18(8-10-19)25-13-11-24(12-14-25)16-26-21(27)20(23-22(26)28)15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,23,28)/t20-/m0/s1
InChIKeyLCDAAZGGWJLDQZ-FQEVSTJZSA-N
MW394.48 g/mol
LogP1.94
Rot. Bonds6

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

(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 51565311) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID51565311
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-19-9-7-18(8-10-19)25-13-11-24(12-14-25)16-26-21(27)20(23-22(26)28)15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,23,28)/t20-/m0/s1
InChIKeyLCDAAZGGWJLDQZ-FQEVSTJZSA-N
XLogP1.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.94
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

(5R)-5-benzyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 31263332
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
5-(2-methoxyphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 71520460
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
5-benzyl-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 17489169
5-benzyl-3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45355223
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 18089201
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 16660931
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
3-benzyl-1-(4-methoxyphenyl)piperazine
CID 54503810
[4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate
CID 129310240

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 51565311) is (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is COc1ccc(N2CCN(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)CC2)cc1.
What is the InChIKey of (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is LCDAAZGGWJLDQZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-19-9-7-18(8-10-19)25-13-11-24(12-14-25)16-26-21(27)20(23-22(26)28)15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,23,28)/t20-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 394.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51565311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).