benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C18H16N2O4 — CID 17454076

IUPACbenzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H16N2O4/c21-16-10-19-18(23)20(16)11-13-6-8-15(9-7-13)17(22)24-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,23)
InChIKeyNACMGRCGLPZLAP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.10
Rot. Bonds5

About benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 17454076) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namebenzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID17454076
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namebenzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H16N2O4/c21-16-10-19-18(23)20(16)11-13-6-8-15(9-7-13)17(22)24-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,23)
InChIKeyNACMGRCGLPZLAP-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33076527
(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 71900069
2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46691602
(2-methoxy-2-oxoethyl) 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16585574
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 41470422
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16602061
benzyl benzoate
CID 2345
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16611794
2-(3-methylphenoxy)ethyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46688572
2-(2,5-dioxoimidazolidin-1-yl)-N-phenylmethoxyacetamide
CID 60668288
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16602055
benzyl benzoate;pyrrolidin-2-one
CID 159513468

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 17454076) is benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is O=C(OCc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is NACMGRCGLPZLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16-10-19-18(23)20(16)11-13-6-8-15(9-7-13)17(22)24-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,23).
What are the key properties of benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 324.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 17454076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).