(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

C20H19ClN2O4 — CID 16550582

IUPAC(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Oc2cc(C)ccc2Cl)C1=O
InChIInChI=1S/C20H19ClN2O4/c1-3-20(14-7-5-4-6-8-14)18(25)23(19(26)22-20)12-17(24)27-16-11-13(2)9-10-15(16)21/h4-11H,3,12H2,1-2H3,(H,22,26)
InChIKeyTXBHIUSXRQLFRF-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.41
Rot. Bonds5

About (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 16550582) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID16550582
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Oc2cc(C)ccc2Cl)C1=O
InChIInChI=1S/C20H19ClN2O4/c1-3-20(14-7-5-4-6-8-14)18(25)23(19(26)22-20)12-17(24)27-16-11-13(2)9-10-15(16)21/h4-11H,3,12H2,1-2H3,(H,22,26)
InChIKeyTXBHIUSXRQLFRF-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55332610
2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8894074
(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16548597
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309960
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
2-(3-chlorophenoxy)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309988
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide
CID 27600419

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (CID 16550582) is (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is CCC1(c2ccccc2)NC(=O)N(CC(=O)Oc2cc(C)ccc2Cl)C1=O.
What is the InChIKey of (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is TXBHIUSXRQLFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-3-20(14-7-5-4-6-8-14)18(25)23(19(26)22-20)12-17(24)27-16-11-13(2)9-10-15(16)21/h4-11H,3,12H2,1-2H3,(H,22,26).
What are the key properties of (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 386.84 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 16550582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).