benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate

C24H16N2O6 — CID 25164499

IUPACbenzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate
SMILESO=C(OC(=O)c1ccc(N2CC(=O)N(C(=O)c3ccccc3)C2=O)cc1)c1ccccc1
InChIInChI=1S/C24H16N2O6/c27-20-15-25(24(31)26(20)21(28)16-7-3-1-4-8-16)19-13-11-18(12-14-19)23(30)32-22(29)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyWHWOPSDPRAJZQO-UHFFFAOYSA-N
MW428.40 g/mol
LogP3.29
Rot. Bonds4

About benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate

benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate (PubChem CID 25164499) has the molecular formula C24H16N2O6 and a molecular weight of 428.40 g/mol. Its IUPAC name is benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Namebenzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate
PubChem CID25164499
Molecular FormulaC24H16N2O6
Molecular Weight428.40 g/mol
Exact Mass428.10
IUPAC Namebenzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate
SMILESO=C(OC(=O)c1ccc(N2CC(=O)N(C(=O)c3ccccc3)C2=O)cc1)c1ccccc1
InChIInChI=1S/C24H16N2O6/c27-20-15-25(24(31)26(20)21(28)16-7-3-1-4-8-16)19-13-11-18(12-14-19)23(30)32-22(29)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyWHWOPSDPRAJZQO-UHFFFAOYSA-N
XLogP3.29
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)-N-methylbenzamide
CID 25164502
3-(naphthalene-2-carbonyl)-1-phenylimidazolidine-2,4-dione
CID 70203256
1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione
CID 19006415
carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione
CID 175255540
benzoyl benzoate;oxane-2,6-dione;oxolane-2,5-dione
CID 162105428
benzoyl benzoate;methylperoxymethane
CID 88758305
1-(4-phenylbenzoyl)pyrrolidine-2,5-dione
CID 170985681
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
benzoyl benzoate;benzoyl chloride
CID 157050310
ethane;3-methyl-1-phenylimidazolidine-2,4-dione
CID 145288256
dibenzoyl 9-oxofluorene-2,7-dicarboxylate
CID 118088324
prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
CID 10739742

Frequently Asked Questions

What is the IUPAC name of benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate?
The IUPAC name of benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate (CID 25164499) is benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate?
The canonical SMILES for benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate is O=C(OC(=O)c1ccc(N2CC(=O)N(C(=O)c3ccccc3)C2=O)cc1)c1ccccc1.
What is the InChIKey of benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate?
The InChIKey is WHWOPSDPRAJZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O6/c27-20-15-25(24(31)26(20)21(28)16-7-3-1-4-8-16)19-13-11-18(12-14-19)23(30)32-22(29)17-9-5-2-6-10-17/h1-14H,15H2.
What are the key properties of benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate?
benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate has a molecular weight of 428.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl 4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 25164499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).