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

C19H18N2O4 — CID 4601141

IUPACmethyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)NC(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-25-18(23)15-9-7-14(8-10-15)12-21-17(22)16(20-19(21)24)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,20,24)
InChIKeyAFTGCGOIUUBEIS-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.14
Rot. Bonds5

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

methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 4601141) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID4601141
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)NC(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-25-18(23)15-9-7-14(8-10-15)12-21-17(22)16(20-19(21)24)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,20,24)
InChIKeyAFTGCGOIUUBEIS-UHFFFAOYSA-N
XLogP2.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 5149585
5-[[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 99697015
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
methyl 5-[2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7994175
methyl 5-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7994177
methyl 4-[(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]benzoate
CID 114512769
N-[4-[[4-[(4-hydrazinylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]acetamide
CID 10361601
methyl (3S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yl-3,4,5,6-tetrahydropyrrolo[3,2-e][1,4]diazepine-7-carboxylate
CID 102395628
ethyl 3-benzyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4876075
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
methyl 4-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]benzoate
CID 102121064

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 4601141) is methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate is COC(=O)c1ccc(CN2C(=O)NC(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is AFTGCGOIUUBEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-18(23)15-9-7-14(8-10-15)12-21-17(22)16(20-19(21)24)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,20,24).
What are the key properties of methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 4601141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).