methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

C22H22ClN3O6 — CID 41001903

IUPACmethyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCOCCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C22H22ClN3O6/c1-31-12-11-25-18(20(28)26(22(25)30)17-9-5-15(23)6-10-17)13-19(27)24-16-7-3-14(4-8-16)21(29)32-2/h3-10,18H,11-13H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyYBGOYTKMFYZGHJ-GOSISDBHSA-N
MW459.89 g/mol
LogP2.94
Rot. Bonds8

About methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (PubChem CID 41001903) has the molecular formula C22H22ClN3O6 and a molecular weight of 459.89 g/mol. Its IUPAC name is methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
PubChem CID41001903
Molecular FormulaC22H22ClN3O6
Molecular Weight459.89 g/mol
Exact Mass459.12
IUPAC Namemethyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCOCCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C22H22ClN3O6/c1-31-12-11-25-18(20(28)26(22(25)30)17-9-5-15(23)6-10-17)13-19(27)24-16-7-3-14(4-8-16)21(29)32-2/h3-10,18H,11-13H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyYBGOYTKMFYZGHJ-GOSISDBHSA-N
XLogP2.94
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 42554438
ethyl 4-[[2-[(4R)-3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698490
methyl 4-[[2-[(4S)-1-(4-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 40774488
ethyl 3-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41284875
methyl 4-[[2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774523
methyl 4-[[2-[1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 3375224
2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7324044
N-(4-ethoxyphenyl)-2-[(4R)-3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7324051
methyl 4-[[2-[(4R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263517
N-(4-chlorophenyl)-2-[(4R)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690531
methyl 4-[[2-[(4R)-3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 40948593
methyl 4-[[2-[3-[(4-chlorobenzoyl)amino]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4518808

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (CID 41001903) is methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is COCCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The InChIKey is YBGOYTKMFYZGHJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22ClN3O6/c1-31-12-11-25-18(20(28)26(22(25)30)17-9-5-15(23)6-10-17)13-19(27)24-16-7-3-14(4-8-16)21(29)32-2/h3-10,18H,11-13H2,1-2H3,(H,24,27)/t18-/m1/s1.
What are the key properties of methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate has a molecular weight of 459.89 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 41001903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).