3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea

C26H24Cl4N4O3 — CID 4917907

IUPAC3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
SMILESCC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C26H24Cl4N4O3/c1-26(2)23(34(37)24(35)31-17-8-10-19(27)21(29)14-17)33(18-9-11-20(28)22(30)15-18)25(36)32(26)13-12-16-6-4-3-5-7-16/h3-11,14-15,23,37H,12-13H2,1-2H3,(H,31,35)
InChIKeyHAEIGYNTBRUCEE-UHFFFAOYSA-N
MW582.32 g/mol
LogP7.81
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea

3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea (PubChem CID 4917907) has the molecular formula C26H24Cl4N4O3 and a molecular weight of 582.32 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
PubChem CID4917907
Molecular FormulaC26H24Cl4N4O3
Molecular Weight582.32 g/mol
Exact Mass580.06
IUPAC Name3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
SMILESCC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C26H24Cl4N4O3/c1-26(2)23(34(37)24(35)31-17-8-10-19(27)21(29)14-17)33(18-9-11-20(28)22(30)15-18)25(36)32(26)13-12-16-6-4-3-5-7-16/h3-11,14-15,23,37H,12-13H2,1-2H3,(H,31,35)
InChIKeyHAEIGYNTBRUCEE-UHFFFAOYSA-N
XLogP7.81
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.32
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea (CID 4917907) is 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea is CC1(C)C(N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea?
The InChIKey is HAEIGYNTBRUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl4N4O3/c1-26(2)23(34(37)24(35)31-17-8-10-19(27)21(29)14-17)33(18-9-11-20(28)22(30)15-18)25(36)32(26)13-12-16-6-4-3-5-7-16/h3-11,14-15,23,37H,12-13H2,1-2H3,(H,31,35).
What are the key properties of 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea?
3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea has a molecular weight of 582.32 g/mol, XLogP of 7.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[3-(3,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea is sourced from PubChem (CID 4917907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).