N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C21H19N3O4 — CID 18137199

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCC(NC(=O)c1ccccc1CN1C(=O)CNC1=O)c1cc2ccccc2o1
InChIInChI=1S/C21H19N3O4/c1-13(18-10-14-6-3-5-9-17(14)28-18)23-20(26)16-8-4-2-7-15(16)12-24-19(25)11-22-21(24)27/h2-10,13H,11-12H2,1H3,(H,22,27)(H,23,26)
InChIKeyCOZMLAYVDTYZBP-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.98
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 18137199) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID18137199
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCC(NC(=O)c1ccccc1CN1C(=O)CNC1=O)c1cc2ccccc2o1
InChIInChI=1S/C21H19N3O4/c1-13(18-10-14-6-3-5-9-17(14)28-18)23-20(26)16-8-4-2-7-15(16)12-24-19(25)11-22-21(24)27/h2-10,13H,11-12H2,1H3,(H,22,27)(H,23,26)
InChIKeyCOZMLAYVDTYZBP-UHFFFAOYSA-N
XLogP2.98
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 84993401
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18136815
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 18086673
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide
CID 17435485
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9369100
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 18136097
N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 43060113
N-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008411
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 18141846

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 18137199) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is CC(NC(=O)c1ccccc1CN1C(=O)CNC1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is COZMLAYVDTYZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13(18-10-14-6-3-5-9-17(14)28-18)23-20(26)16-8-4-2-7-15(16)12-24-19(25)11-22-21(24)27/h2-10,13H,11-12H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 377.40 g/mol, XLogP of 2.98, 5 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-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 18137199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).