ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate

C26H23N3O5 — CID 4855786

IUPACethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H23N3O5/c1-2-34-23(31)20-15-9-10-16-21(20)27-22(30)17-29-24(32)26(28-25(29)33,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,27,30)(H,28,33)
InChIKeyVVCWKBJECOWERW-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.30
Rot. Bonds7

About ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate

ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate (PubChem CID 4855786) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate
PubChem CID4855786
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Nameethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H23N3O5/c1-2-34-23(31)20-15-9-10-16-21(20)27-22(30)17-29-24(32)26(28-25(29)33,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,27,30)(H,28,33)
InChIKeyVVCWKBJECOWERW-UHFFFAOYSA-N
XLogP3.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 2702268
N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 4045289
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 55463912
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 110686826
ethyl 2-(propanoylamino)benzoate
CID 4190428
N-[(2,3-dimethylphenyl)carbamoyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 27028204
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 42964494
ethyl 2-[[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]benzoate
CID 125145140
ethyl 5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2423832
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27926091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate (CID 4855786) is ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate?
The InChIKey is VVCWKBJECOWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-2-34-23(31)20-15-9-10-16-21(20)27-22(30)17-29-24(32)26(28-25(29)33,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,27,30)(H,28,33).
What are the key properties of ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate has a molecular weight of 457.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 4855786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).