3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione

C28H38N4O3 — CID 90654842

IUPAC3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(N2CCN(CCCCCN3C(=O)N(Cc4ccccc4)C(=O)C3(C)C)CC2)c1
InChIInChI=1S/C28H38N4O3/c1-28(2)26(33)31(22-23-11-6-4-7-12-23)27(34)32(28)16-9-5-8-15-29-17-19-30(20-18-29)24-13-10-14-25(21-24)35-3/h4,6-7,10-14,21H,5,8-9,15-20,22H2,1-3H3
InChIKeyBFSUWBJMIHVIET-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.23
Rot. Bonds10

About 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione

3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 90654842) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID90654842
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(N2CCN(CCCCCN3C(=O)N(Cc4ccccc4)C(=O)C3(C)C)CC2)c1
InChIInChI=1S/C28H38N4O3/c1-28(2)26(33)31(22-23-11-6-4-7-12-23)27(34)32(28)16-9-5-8-15-29-17-19-30(20-18-29)24-13-10-14-25(21-24)35-3/h4,6-7,10-14,21H,5,8-9,15-20,22H2,1-3H3
InChIKeyBFSUWBJMIHVIET-UHFFFAOYSA-N
XLogP4.23
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
CID 90654844
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
8-benzyl-3-[(3-methoxyphenyl)methyl]-1-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169836
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169745
3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;oxalic acid
CID 67041259
3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate
CID 15572537
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
CID 10645430

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione (CID 90654842) is 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(N2CCN(CCCCCN3C(=O)N(Cc4ccccc4)C(=O)C3(C)C)CC2)c1.
What is the InChIKey of 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is BFSUWBJMIHVIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-28(2)26(33)31(22-23-11-6-4-7-12-23)27(34)32(28)16-9-5-8-15-29-17-19-30(20-18-29)24-13-10-14-25(21-24)35-3/h4,6-7,10-14,21H,5,8-9,15-20,22H2,1-3H3.
What are the key properties of 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 478.64 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 90654842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).