3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione

C14H16Cl2N2O3 — CID 119039669

IUPAC3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
SMILESCC(C)OCCC1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C14H16Cl2N2O3/c1-8(2)21-4-3-12-13(19)18(14(20)17-12)11-6-9(15)5-10(16)7-11/h5-8,12H,3-4H2,1-2H3,(H,17,20)
InChIKeyYYCRJIOGTAPSDR-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.23
Rot. Bonds5

About 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione

3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione (PubChem CID 119039669) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
PubChem CID119039669
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
SMILESCC(C)OCCC1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C14H16Cl2N2O3/c1-8(2)21-4-3-12-13(19)18(14(20)17-12)11-6-9(15)5-10(16)7-11/h5-8,12H,3-4H2,1-2H3,(H,17,20)
InChIKeyYYCRJIOGTAPSDR-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione (CID 119039669) is 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione is CC(C)OCCC1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione?
The InChIKey is YYCRJIOGTAPSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8(2)21-4-3-12-13(19)18(14(20)17-12)11-6-9(15)5-10(16)7-11/h5-8,12H,3-4H2,1-2H3,(H,17,20).
What are the key properties of 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione?
3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione has a molecular weight of 331.20 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 119039669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).