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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Related Compounds

3-(2,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107653742
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64965252
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64970117
1-(2-chloro-5-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107640186
5-cyclopropyl-3-(2,5-dichlorophenyl)-4,5-dimethyl-1H-pyrrol-2-one
CID 54346041
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one
CID 54721470
9-(2,5-dichlorophenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
CID 107653849
3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine
CID 64924869
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962108
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8572834

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).