methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate

C19H18N2O4 — CID 156703245

IUPACmethyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-13-17(22)21(16-10-8-15(9-11-16)18(23)25-2)19(24)20(13)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyQWAXQUNYSKYBRH-ZDUSSCGKSA-N
MW338.36 g/mol
LogP2.83
Rot. Bonds4

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

methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate (PubChem CID 156703245) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate
PubChem CID156703245
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-13-17(22)21(16-10-8-15(9-11-16)18(23)25-2)19(24)20(13)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyQWAXQUNYSKYBRH-ZDUSSCGKSA-N
XLogP2.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
CID 156703188
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 97046899
methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate
CID 122231365
4-[4-benzyl-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid
CID 57422389
methyl 4-[[2-[(4R)-3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 40948593
methyl 4-[[2-[3-benzyl-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 46497514
benzyl-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 6925114
benzyl-[1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4078174
methyl 4-[3-[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]-2-oxopropyl]benzoate
CID 58257327
ethyl 4-[[2-[(4S)-3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698501
ethyl 4-[[2-[(4R)-3-[(4-methylphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774792

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate?
The IUPAC name of methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate (CID 156703245) is methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate?
The canonical SMILES for methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate is COC(=O)c1ccc(N2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate?
The InChIKey is QWAXQUNYSKYBRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13-17(22)21(16-10-8-15(9-11-16)18(23)25-2)19(24)20(13)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate?
methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate is sourced from PubChem (CID 156703245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).