(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C21H21ClN2O5 — CID 55779436

IUPAC(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Oc3cc(C)c(Cl)c(C)c3)C2=O)cc1
InChIInChI=1S/C21H21ClN2O5/c1-12-9-16(10-13(2)18(12)22)29-17(25)11-24-19(26)21(3,23-20(24)27)14-5-7-15(28-4)8-6-14/h5-10H,11H2,1-4H3,(H,23,27)
InChIKeyUKEBNHXJPJTTLW-UHFFFAOYSA-N
MW416.86 g/mol
LogP3.34
Rot. Bonds5

About (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 55779436) has the molecular formula C21H21ClN2O5 and a molecular weight of 416.86 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID55779436
Molecular FormulaC21H21ClN2O5
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Oc3cc(C)c(Cl)c(C)c3)C2=O)cc1
InChIInChI=1S/C21H21ClN2O5/c1-12-9-16(10-13(2)18(12)22)29-17(25)11-24-19(26)21(3,23-20(24)27)14-5-7-15(28-4)8-6-14/h5-10H,11H2,1-4H3,(H,23,27)
InChIKeyUKEBNHXJPJTTLW-UHFFFAOYSA-N
XLogP3.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55371785
(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 31504133
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
N-(2,6-dichloro-3-methylphenyl)-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4880285
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
(4-chloro-2-methylphenyl) 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55510612
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42898026
methyl 4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxybenzoate
CID 8961265
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16548422
3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 4787753

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 55779436) is (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is COc1ccc(C2(C)NC(=O)N(CC(=O)Oc3cc(C)c(Cl)c(C)c3)C2=O)cc1.
What is the InChIKey of (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is UKEBNHXJPJTTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5/c1-12-9-16(10-13(2)18(12)22)29-17(25)11-24-19(26)21(3,23-20(24)27)14-5-7-15(28-4)8-6-14/h5-10H,11H2,1-4H3,(H,23,27).
What are the key properties of (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 416.86 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 55779436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).