3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione

C12H13ClN2O2 — CID 54923928

IUPAC3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-8(2)14-7-11(16)15(12(14)17)10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyHSDQHGURAYIXGG-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.52
Rot. Bonds2

About 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione

3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione (PubChem CID 54923928) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione
PubChem CID54923928
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-8(2)14-7-11(16)15(12(14)17)10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyHSDQHGURAYIXGG-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione (CID 54923928) is 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione is CC(C)N1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is HSDQHGURAYIXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8(2)14-7-11(16)15(12(14)17)10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione?
3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 252.70 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 54923928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).