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

C21H22N2O5 — CID 7566172

IUPACmethyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-21(12-16-6-4-5-7-17(16)27-2)19(25)23(20(26)22-21)13-14-8-10-15(11-9-14)18(24)28-3/h4-11H,12-13H2,1-3H3,(H,22,26)/t21-/m0/s1
InChIKeyBDQTXXBFCUTYIS-NRFANRHFSA-N
MW382.42 g/mol
LogP2.54
Rot. Bonds6

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

methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate (PubChem CID 7566172) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
PubChem CID7566172
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Namemethyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-21(12-16-6-4-5-7-17(16)27-2)19(25)23(20(26)22-21)13-14-8-10-15(11-9-14)18(24)28-3/h4-11H,12-13H2,1-3H3,(H,22,26)/t21-/m0/s1
InChIKeyBDQTXXBFCUTYIS-NRFANRHFSA-N
XLogP2.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

methyl 4-[[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 7566179
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7566120
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 7566809
(5S)-5-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7566086
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
N-tert-butyl-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565842
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7565917
2-[[2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8581604
N-(2,6-diethylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566562
N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565952
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17391164

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate (CID 7566172) is methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)cc1.
What is the InChIKey of methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
The InChIKey is BDQTXXBFCUTYIS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-21(12-16-6-4-5-7-17(16)27-2)19(25)23(20(26)22-21)13-14-8-10-15(11-9-14)18(24)28-3/h4-11H,12-13H2,1-3H3,(H,22,26)/t21-/m0/s1.
What are the key properties of methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate?
methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate has a molecular weight of 382.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate is sourced from PubChem (CID 7566172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).