[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C25H21N3O5 — CID 33076527

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(Nc1ccccc1)c1ccc(COC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1
InChIInChI=1S/C25H21N3O5/c29-22-14-26-25(32)28(22)15-18-5-4-6-20(13-18)24(31)33-16-17-9-11-19(12-10-17)23(30)27-21-7-2-1-3-8-21/h1-13H,14-16H2,(H,26,32)(H,27,30)
InChIKeyAIFCQLMATHODSF-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.35
Rot. Bonds7

About [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 33076527) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID33076527
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(Nc1ccccc1)c1ccc(COC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1
InChIInChI=1S/C25H21N3O5/c29-22-14-26-25(32)28(22)15-18-5-4-6-20(13-18)24(31)33-16-17-9-11-19(12-10-17)23(30)27-21-7-2-1-3-8-21/h1-13H,14-16H2,(H,26,32)(H,27,30)
InChIKeyAIFCQLMATHODSF-UHFFFAOYSA-N
XLogP3.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076
[2-(4-methoxyanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33067922
[2-(3-methoxyanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33067811
[2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33068963
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-quinolin-3-ylbenzamide
CID 29331146
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55617109
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 119370008
N-(2,4-dimethylphenyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35438664
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119440495
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46517134
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 33381394

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 33076527) is [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is O=C(Nc1ccccc1)c1ccc(COC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is AIFCQLMATHODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c29-22-14-26-25(32)28(22)15-18-5-4-6-20(13-18)24(31)33-16-17-9-11-19(12-10-17)23(30)27-21-7-2-1-3-8-21/h1-13H,14-16H2,(H,26,32)(H,27,30).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 443.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 33076527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).