N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide

C22H21N3O4 — CID 24605844

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC(Cc2ccccc2)C1=O)c1cc2ccccc2o1
InChIInChI=1S/C22H21N3O4/c1-14(19-12-16-9-5-6-10-18(16)29-19)23-20(26)13-25-21(27)17(24-22(25)28)11-15-7-3-2-4-8-15/h2-10,12,14,17H,11,13H2,1H3,(H,23,26)(H,24,28)
InChIKeySZZQAAIOSYZNTO-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 24605844) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID24605844
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC(Cc2ccccc2)C1=O)c1cc2ccccc2o1
InChIInChI=1S/C22H21N3O4/c1-14(19-12-16-9-5-6-10-18(16)29-19)23-20(26)13-25-21(27)17(24-22(25)28)11-15-7-3-2-4-8-15/h2-10,12,14,17H,11,13H2,1H3,(H,23,26)(H,24,28)
InChIKeySZZQAAIOSYZNTO-UHFFFAOYSA-N
XLogP2.77
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 24605844) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC(NC(=O)CN1C(=O)NC(Cc2ccccc2)C1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is SZZQAAIOSYZNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(19-12-16-9-5-6-10-18(16)29-19)23-20(26)13-25-21(27)17(24-22(25)28)11-15-7-3-2-4-8-15/h2-10,12,14,17H,11,13H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24605844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).