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

C20H17N3O4 — CID 16548597

IUPAC(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Oc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C20H17N3O4/c1-2-20(15-6-4-3-5-7-15)18(25)23(19(26)22-20)13-17(24)27-16-10-8-14(12-21)9-11-16/h3-11H,2,13H2,1H3,(H,22,26)
InChIKeyHLAREHPJMLSVHD-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.32
Rot. Bonds5

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

(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 16548597) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID16548597
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Oc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C20H17N3O4/c1-2-20(15-6-4-3-5-7-15)18(25)23(19(26)22-20)13-17(24)27-16-10-8-14(12-21)9-11-16/h3-11H,2,13H2,1H3,(H,22,26)
InChIKeyHLAREHPJMLSVHD-UHFFFAOYSA-N
XLogP2.32
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.32
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

2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8894074
(2,4-dimethylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55332610
(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16550582
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46583189
4-[2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ethoxy]benzonitrile
CID 55326801
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309960
[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 41170271
2-(3-chlorophenoxy)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309988

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (CID 16548597) is (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is CCC1(c2ccccc2)NC(=O)N(CC(=O)Oc2ccc(C#N)cc2)C1=O.
What is the InChIKey of (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is HLAREHPJMLSVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-2-20(15-6-4-3-5-7-15)18(25)23(19(26)22-20)13-17(24)27-16-10-8-14(12-21)9-11-16/h3-11H,2,13H2,1H3,(H,22,26).
What are the key properties of (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 363.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 16548597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).