2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C21H21ClN2O5 — CID 7709558

IUPAC2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)OCCOc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C21H21ClN2O5/c1-14-7-9-15(10-8-14)21(2)19(26)24(20(27)23-21)13-18(25)29-12-11-28-17-6-4-3-5-16(17)22/h3-10H,11-13H2,1-2H3,(H,23,27)/t21-/m0/s1
InChIKeyQYUGRDSUJPPGPA-NRFANRHFSA-N
MW416.86 g/mol
LogP3.04
Rot. Bonds7

About 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7709558) has the molecular formula C21H21ClN2O5 and a molecular weight of 416.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7709558
Molecular FormulaC21H21ClN2O5
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)OCCOc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C21H21ClN2O5/c1-14-7-9-15(10-8-14)21(2)19(26)24(20(27)23-21)13-18(25)29-12-11-28-17-6-4-3-5-16(17)22/h3-10H,11-13H2,1-2H3,(H,23,27)/t21-/m0/s1
InChIKeyQYUGRDSUJPPGPA-NRFANRHFSA-N
XLogP3.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)ethyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709567
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
(4-fluorophenyl)methyl 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 84603716
3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55519050
(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711003
1,3-benzothiazol-2-ylmethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709452
2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821452
butyl 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7180496
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711066
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 7709558) is 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is Cc1ccc([C@]2(C)NC(=O)N(CC(=O)OCCOc3ccccc3Cl)C2=O)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is QYUGRDSUJPPGPA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21ClN2O5/c1-14-7-9-15(10-8-14)21(2)19(26)24(20(27)23-21)13-18(25)29-12-11-28-17-6-4-3-5-16(17)22/h3-10H,11-13H2,1-2H3,(H,23,27)/t21-/m0/s1.
What are the key properties of 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 416.86 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7709558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).