2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C24H24N4O4 — CID 55442262

IUPAC2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O
InChIInChI=1S/C24H24N4O4/c1-24(20-14-16-6-2-3-7-19(16)32-20)22(30)28(23(31)26-24)15-21(29)25-17-8-10-18(11-9-17)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,25,29)(H,26,31)
InChIKeyCXNCXNPWQTWXBX-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.44
Rot. Bonds5

About 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 55442262) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID55442262
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O
InChIInChI=1S/C24H24N4O4/c1-24(20-14-16-6-2-3-7-19(16)32-20)22(30)28(23(31)26-24)15-21(29)25-17-8-10-18(11-9-17)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,25,29)(H,26,31)
InChIKeyCXNCXNPWQTWXBX-UHFFFAOYSA-N
XLogP3.44
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 42918874
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17408799
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 26565695
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 26565696
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31383653
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42897977
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42918889
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 55442296
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 55442262) is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is CXNCXNPWQTWXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-24(20-14-16-6-2-3-7-19(16)32-20)22(30)28(23(31)26-24)15-21(29)25-17-8-10-18(11-9-17)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,25,29)(H,26,31).
What are the key properties of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 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-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55442262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).