(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

C18H13Cl3N2O4 — CID 55335215

IUPAC(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H13Cl3N2O4/c1-18(10-5-3-2-4-6-10)16(25)23(17(26)22-18)9-14(24)27-15-12(20)7-11(19)8-13(15)21/h2-8H,9H2,1H3,(H,22,26)
InChIKeyUGRIEIXFFDMFLT-UHFFFAOYSA-N
MW427.67 g/mol
LogP4.02
Rot. Bonds4

About (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 55335215) has the molecular formula C18H13Cl3N2O4 and a molecular weight of 427.67 g/mol. Its IUPAC name is (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID55335215
Molecular FormulaC18H13Cl3N2O4
Molecular Weight427.67 g/mol
Exact Mass425.99
IUPAC Name(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H13Cl3N2O4/c1-18(10-5-3-2-4-6-10)16(25)23(17(26)22-18)9-14(24)27-15-12(20)7-11(19)8-13(15)21/h2-8H,9H2,1H3,(H,22,26)
InChIKeyUGRIEIXFFDMFLT-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 54.02
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

(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708848
methyl 4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxybenzoate
CID 8961265
(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708910
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55510612
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
(2-chloro-4-cyano-6-ethoxyphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55511616
(2-oxo-2-piperidin-1-ylethyl) 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709372
(4-propan-2-ylphenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709406
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817
N-(3-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2710976
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708935

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (CID 55335215) is (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is CC1(c2ccccc2)NC(=O)N(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)C1=O.
What is the InChIKey of (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is UGRIEIXFFDMFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O4/c1-18(10-5-3-2-4-6-10)16(25)23(17(26)22-18)9-14(24)27-15-12(20)7-11(19)8-13(15)21/h2-8H,9H2,1H3,(H,22,26).
What are the key properties of (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 427.67 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 55335215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).