1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione

C19H22Cl2N2O5 — CID 24626704

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCCOc1ccc(N2C(=O)C(=O)N(CC3CC3(Cl)Cl)C2=O)cc1OCCC
InChIInChI=1S/C19H22Cl2N2O5/c1-3-7-27-14-6-5-13(9-15(14)28-8-4-2)23-17(25)16(24)22(18(23)26)11-12-10-19(12,20)21/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3
InChIKeyXXLVNZNBQNEZFD-UHFFFAOYSA-N
MW429.30 g/mol
LogP3.75
Rot. Bonds9

About 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione

1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 24626704) has the molecular formula C19H22Cl2N2O5 and a molecular weight of 429.30 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID24626704
Molecular FormulaC19H22Cl2N2O5
Molecular Weight429.30 g/mol
Exact Mass428.09
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCCOc1ccc(N2C(=O)C(=O)N(CC3CC3(Cl)Cl)C2=O)cc1OCCC
InChIInChI=1S/C19H22Cl2N2O5/c1-3-7-27-14-6-5-13(9-15(14)28-8-4-2)23-17(25)16(24)22(18(23)26)11-12-10-19(12,20)21/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3
InChIKeyXXLVNZNBQNEZFD-UHFFFAOYSA-N
XLogP3.75
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione (CID 24626704) is 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione is CCCOc1ccc(N2C(=O)C(=O)N(CC3CC3(Cl)Cl)C2=O)cc1OCCC.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is XXLVNZNBQNEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O5/c1-3-7-27-14-6-5-13(9-15(14)28-8-4-2)23-17(25)16(24)22(18(23)26)11-12-10-19(12,20)21/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione?
1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 429.30 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 24626704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).