methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate

C20H20N2O4 — CID 15945436

IUPACmethyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O
InChIInChI=1S/C20H20N2O4/c1-3-20(16-7-5-4-6-8-16)18(24)22(19(25)21-20)13-14-9-11-15(12-10-14)17(23)26-2/h4-12H,3,13H2,1-2H3,(H,21,25)
InChIKeyTVZCEESIDVQHIE-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.83
Rot. Bonds5

About methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate

methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate (PubChem CID 15945436) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate
PubChem CID15945436
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O
InChIInChI=1S/C20H20N2O4/c1-3-20(16-7-5-4-6-8-16)18(24)22(19(25)21-20)13-14-9-11-15(12-10-14)17(23)26-2/h4-12H,3,13H2,1-2H3,(H,21,25)
InChIKeyTVZCEESIDVQHIE-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate (CID 15945436) is methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate is CCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O.
What is the InChIKey of methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate?
The InChIKey is TVZCEESIDVQHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-20(16-7-5-4-6-8-16)18(24)22(19(25)21-20)13-14-9-11-15(12-10-14)17(23)26-2/h4-12H,3,13H2,1-2H3,(H,21,25).
What are the key properties of methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate?
methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate has a molecular weight of 352.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 15945436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).