4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

C21H18N4O5 — CID 42918874

IUPAC4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESCC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C21H18N4O5/c1-21(16-10-13-4-2-3-5-15(13)30-16)19(28)25(20(29)24-21)11-17(26)23-14-8-6-12(7-9-14)18(22)27/h2-10H,11H2,1H3,(H2,22,27)(H,23,26)(H,24,29)
InChIKeyCWAQOCRQFBFICI-UHFFFAOYSA-N
MW406.40 g/mol
LogP1.94
Rot. Bonds5

About 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (PubChem CID 42918874) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
PubChem CID42918874
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESCC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C21H18N4O5/c1-21(16-10-13-4-2-3-5-15(13)30-16)19(28)25(20(29)24-21)11-17(26)23-14-8-6-12(7-9-14)18(22)27/h2-10H,11H2,1H3,(H2,22,27)(H,23,26)(H,24,29)
InChIKeyCWAQOCRQFBFICI-UHFFFAOYSA-N
XLogP1.94
TPSA134.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55442262
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-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31383653
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
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
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
4-[[2-[(4S)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 40810147
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 55442296
5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 24572395
4-[[2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 7692089
(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 9451466

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (CID 42918874) is 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is CC1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O.
What is the InChIKey of 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is CWAQOCRQFBFICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-21(16-10-13-4-2-3-5-15(13)30-16)19(28)25(20(29)24-21)11-17(26)23-14-8-6-12(7-9-14)18(22)27/h2-10H,11H2,1H3,(H2,22,27)(H,23,26)(H,24,29).
What are the key properties of 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 406.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 42918874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).