1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione

C12H13ClN2O2 — CID 60837459

IUPAC1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)CN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)8-15(12(14)17)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyMUFKINKVFBNUEN-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione

1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione (PubChem CID 60837459) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione
PubChem CID60837459
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)CN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)8-15(12(14)17)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyMUFKINKVFBNUEN-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione (CID 60837459) is 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione is CCCN1C(=O)CN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione?
The InChIKey is MUFKINKVFBNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)8-15(12(14)17)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione?
1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione has a molecular weight of 252.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 60837459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).