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

C19H18N2O4 — CID 7242335

IUPACmethyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-19(15-6-4-3-5-7-15)17(23)21(18(24)20-19)12-13-8-10-14(11-9-13)16(22)25-2/h3-11H,12H2,1-2H3,(H,20,24)/t19-/m0/s1
InChIKeyIYLNJQNDCLBECA-IBGZPJMESA-N
MW338.36 g/mol
LogP2.44
Rot. Bonds4

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

methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate (PubChem CID 7242335) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
PubChem CID7242335
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-19(15-6-4-3-5-7-15)17(23)21(18(24)20-19)12-13-8-10-14(11-9-13)16(22)25-2/h3-11H,12H2,1-2H3,(H,20,24)/t19-/m0/s1
InChIKeyIYLNJQNDCLBECA-IBGZPJMESA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.44
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

4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
methyl 4-[[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]methyl]benzoate
CID 7595709
methyl 4-[[4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 47092890
methyl 4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxybenzoate
CID 8961265
methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
CID 59388667
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 4877614
methyl 4-[[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 7566179
methyl 4-[[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]methyl]benzoate
CID 2705977
methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 7566172
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 55631679
methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 41135174

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate (CID 7242335) is methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate?
The InChIKey is IYLNJQNDCLBECA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18N2O4/c1-19(15-6-4-3-5-7-15)17(23)21(18(24)20-19)12-13-8-10-14(11-9-13)16(22)25-2/h3-11H,12H2,1-2H3,(H,20,24)/t19-/m0/s1.
What are the key properties of methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate?
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate is sourced from PubChem (CID 7242335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).