2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide

C22H18N4O4 — CID 56521720

IUPAC2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
SMILESCC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O
InChIInChI=1S/C22H18N4O4/c1-22(18-13-15-7-5-6-10-17(15)30-18)20(28)26(21(29)24-22)14-19(27)25(12-11-23)16-8-3-2-4-9-16/h2-10,13H,12,14H2,1H3,(H,24,29)
InChIKeyKMDASWLXKMUYKK-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.76
Rot. Bonds5

About 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide (PubChem CID 56521720) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
PubChem CID56521720
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
SMILESCC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O
InChIInChI=1S/C22H18N4O4/c1-22(18-13-15-7-5-6-10-17(15)30-18)20(28)26(21(29)24-22)14-19(27)25(12-11-23)16-8-3-2-4-9-16/h2-10,13H,12,14H2,1H3,(H,24,29)
InChIKeyKMDASWLXKMUYKK-UHFFFAOYSA-N
XLogP2.76
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide
CID 17434813
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 55445044
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 55442216
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 41119736
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
CID 40767489
N-(2-cyanoethyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 46642421
(5S)-5-(1-benzofuran-2-yl)-3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41088212
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41119119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide (CID 56521720) is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide is CC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide?
The InChIKey is KMDASWLXKMUYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-22(18-13-15-7-5-6-10-17(15)30-18)20(28)26(21(29)24-22)14-19(27)25(12-11-23)16-8-3-2-4-9-16/h2-10,13H,12,14H2,1H3,(H,24,29).
What are the key properties of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide?
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide has a molecular weight of 402.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide is sourced from PubChem (CID 56521720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).