3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

C16H21ClN2O3 — CID 60524179

IUPAC3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCCCCOCCN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H21ClN2O3/c1-3-4-10-22-11-9-19-14(20)16(2,18-15(19)21)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyYCNLIPFDKFULGU-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.92
Rot. Bonds7

About 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 60524179) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID60524179
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCCCCOCCN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H21ClN2O3/c1-3-4-10-22-11-9-19-14(20)16(2,18-15(19)21)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyYCNLIPFDKFULGU-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-5-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidine-2,4-dione
CID 47772363
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione
CID 82148435
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
(5R)-3-butyl-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 51932049
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2633579
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 2705958
(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 51933134

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (CID 60524179) is 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is CCCCOCCN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is YCNLIPFDKFULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-3-4-10-22-11-9-19-14(20)16(2,18-15(19)21)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,21).
What are the key properties of 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 324.81 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60524179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).