4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid

C15H17ClN2O4 — CID 82148971

IUPAC4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CCCC(=O)O)C1=O
InChIInChI=1S/C15H17ClN2O4/c1-2-15(10-5-7-11(16)8-6-10)13(21)18(14(22)17-15)9-3-4-12(19)20/h5-8H,2-4,9H2,1H3,(H,17,22)(H,19,20)
InChIKeyLHAXFBVTQPCIJK-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.36
Rot. Bonds6

About 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid

4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid (PubChem CID 82148971) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
PubChem CID82148971
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CCCC(=O)O)C1=O
InChIInChI=1S/C15H17ClN2O4/c1-2-15(10-5-7-11(16)8-6-10)13(21)18(14(22)17-15)9-3-4-12(19)20/h5-8H,2-4,9H2,1H3,(H,17,22)(H,19,20)
InChIKeyLHAXFBVTQPCIJK-UHFFFAOYSA-N
XLogP2.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-5-ethyl-3-(3-hydroxy-3-methylbutyl)imidazolidine-2,4-dione
CID 111825022
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
CID 18272138
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
(5R)-5-(4-chlorophenyl)-5-ethyl-3-prop-2-enylimidazolidine-2,4-dione
CID 97026004
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 94752250
5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
CID 18284754
3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 42898066
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2584765
N-(butylcarbamoyl)-2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55412036

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid (CID 82148971) is 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid is CCC1(c2ccc(Cl)cc2)NC(=O)N(CCCC(=O)O)C1=O.
What is the InChIKey of 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid?
The InChIKey is LHAXFBVTQPCIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-2-15(10-5-7-11(16)8-6-10)13(21)18(14(22)17-15)9-3-4-12(19)20/h5-8H,2-4,9H2,1H3,(H,17,22)(H,19,20).
What are the key properties of 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid?
4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid has a molecular weight of 324.76 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid is sourced from PubChem (CID 82148971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).