[3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate

C17H12Cl2N2O4 — CID 3106706

IUPAC[3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate
SMILESCN1C(=O)C(OC(=O)c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H12Cl2N2O4/c1-20-14(22)15(25-16(23)10-5-3-2-4-6-10)21(17(20)24)11-7-8-12(18)13(19)9-11/h2-9,15H,1H3
InChIKeyDNHABDFDQDEBMP-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.57
Rot. Bonds3

About [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate

[3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate (PubChem CID 3106706) has the molecular formula C17H12Cl2N2O4 and a molecular weight of 379.20 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate
PubChem CID3106706
Molecular FormulaC17H12Cl2N2O4
Molecular Weight379.20 g/mol
Exact Mass378.02
IUPAC Name[3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate
SMILESCN1C(=O)C(OC(=O)c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H12Cl2N2O4/c1-20-14(22)15(25-16(23)10-5-3-2-4-6-10)21(17(20)24)11-7-8-12(18)13(19)9-11/h2-9,15H,1H3
InChIKeyDNHABDFDQDEBMP-UHFFFAOYSA-N
XLogP3.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate?
The IUPAC name of [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate (CID 3106706) is [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate.
What is the SMILES notation for [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate?
The canonical SMILES for [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate is CN1C(=O)C(OC(=O)c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate?
The InChIKey is DNHABDFDQDEBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4/c1-20-14(22)15(25-16(23)10-5-3-2-4-6-10)21(17(20)24)11-7-8-12(18)13(19)9-11/h2-9,15H,1H3.
What are the key properties of [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate?
[3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate has a molecular weight of 379.20 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)-1-methyl-2,5-dioxoimidazolidin-4-yl] benzoate is sourced from PubChem (CID 3106706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).