1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione

C24H26N4O4 — CID 30738722

IUPAC1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H26N4O4/c29-22-23(30)28(24(31)27(22)16-18-4-2-1-3-5-18)17-26-11-9-25(10-12-26)15-19-6-7-21-20(14-19)8-13-32-21/h1-7,14H,8-13,15-17H2
InChIKeyZRMHROFOUWHCEC-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.69
Rot. Bonds6

About 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione

1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 30738722) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID30738722
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H26N4O4/c29-22-23(30)28(24(31)27(22)16-18-4-2-1-3-5-18)17-26-11-9-25(10-12-26)15-19-6-7-21-20(14-19)8-13-32-21/h1-7,14H,8-13,15-17H2
InChIKeyZRMHROFOUWHCEC-UHFFFAOYSA-N
XLogP1.69
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3aR,7aR)-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9324129
1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 2575629
2-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 46613288
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine
CID 56584355
2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 9126871
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 9126673
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-phenylethyl)piperazine-1-carbothioamide
CID 8500127
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906302
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 71901749
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one
CID 15987387

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione (CID 30738722) is 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is ZRMHROFOUWHCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-22-23(30)28(24(31)27(22)16-18-4-2-1-3-5-18)17-26-11-9-25(10-12-26)15-19-6-7-21-20(14-19)8-13-32-21/h1-7,14H,8-13,15-17H2.
What are the key properties of 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 434.50 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 30738722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).