[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea

C17H11Cl3N4O4 — CID 67917148

IUPAC[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea
SMILESNC(=O)NC1C(=O)N(C(=O)c2c(Cl)cccc2Cl)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N4O4/c18-8-4-6-9(7-5-8)23-13(22-16(21)27)15(26)24(17(23)28)14(25)12-10(19)2-1-3-11(12)20/h1-7,13H,(H3,21,22,27)
InChIKeyYOTDDFIKYKJBBF-UHFFFAOYSA-N
MW441.66 g/mol
LogP3.25
Rot. Bonds3

About [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea

[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea (PubChem CID 67917148) has the molecular formula C17H11Cl3N4O4 and a molecular weight of 441.66 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea
PubChem CID67917148
Molecular FormulaC17H11Cl3N4O4
Molecular Weight441.66 g/mol
Exact Mass439.98
IUPAC Name[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea
SMILESNC(=O)NC1C(=O)N(C(=O)c2c(Cl)cccc2Cl)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N4O4/c18-8-4-6-9(7-5-8)23-13(22-16(21)27)15(26)24(17(23)28)14(25)12-10(19)2-1-3-11(12)20/h1-7,13H,(H3,21,22,27)
InChIKeyYOTDDFIKYKJBBF-UHFFFAOYSA-N
XLogP3.25
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea?
The IUPAC name of [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea (CID 67917148) is [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea.
What is the SMILES notation for [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea?
The canonical SMILES for [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea is NC(=O)NC1C(=O)N(C(=O)c2c(Cl)cccc2Cl)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea?
The InChIKey is YOTDDFIKYKJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O4/c18-8-4-6-9(7-5-8)23-13(22-16(21)27)15(26)24(17(23)28)14(25)12-10(19)2-1-3-11(12)20/h1-7,13H,(H3,21,22,27).
What are the key properties of [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea?
[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea has a molecular weight of 441.66 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea is sourced from PubChem (CID 67917148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).