5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione

C13H12Cl2N2O2 — CID 106702974

IUPAC5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C13H12Cl2N2O2/c1-13(7-2-3-7)11(18)17(12(19)16-13)10-6-8(14)4-5-9(10)15/h4-7H,2-3H2,1H3,(H,16,19)
InChIKeyNYCAGHSSJQYUJN-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.22
Rot. Bonds2

About 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione

5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 106702974) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID106702974
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C13H12Cl2N2O2/c1-13(7-2-3-7)11(18)17(12(19)16-13)10-6-8(14)4-5-9(10)15/h4-7H,2-3H2,1H3,(H,16,19)
InChIKeyNYCAGHSSJQYUJN-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
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 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione (CID 106702974) is 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is NYCAGHSSJQYUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-13(7-2-3-7)11(18)17(12(19)16-13)10-6-8(14)4-5-9(10)15/h4-7H,2-3H2,1H3,(H,16,19).
What are the key properties of 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 299.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 106702974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).