4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide

C27H25BrN4O5 — CID 155548358

IUPAC4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESO=C(CCC1C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccc(Br)cc1)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H25BrN4O5/c28-21-10-6-19(7-11-21)16-31-23(26(35)32(27(31)36)17-18-4-2-1-3-5-18)14-15-24(33)29-22-12-8-20(9-13-22)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34)
InChIKeyQJMDANRCWQWQEW-UHFFFAOYSA-N
MW565.42 g/mol
LogP4.32
Rot. Bonds9

About 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide

4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (PubChem CID 155548358) has the molecular formula C27H25BrN4O5 and a molecular weight of 565.42 g/mol. Its IUPAC name is 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
PubChem CID155548358
Molecular FormulaC27H25BrN4O5
Molecular Weight565.42 g/mol
Exact Mass564.10
IUPAC Name4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESO=C(CCC1C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccc(Br)cc1)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H25BrN4O5/c28-21-10-6-19(7-11-21)16-31-23(26(35)32(27(31)36)17-18-4-2-1-3-5-18)14-15-24(33)29-22-12-8-20(9-13-22)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34)
InChIKeyQJMDANRCWQWQEW-UHFFFAOYSA-N
XLogP4.32
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.42
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'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 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (CID 155548358) is 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is O=C(CCC1C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccc(Br)cc1)Nc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The InChIKey is QJMDANRCWQWQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN4O5/c28-21-10-6-19(7-11-21)16-31-23(26(35)32(27(31)36)17-18-4-2-1-3-5-18)14-15-24(33)29-22-12-8-20(9-13-22)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34).
What are the key properties of 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide has a molecular weight of 565.42 g/mol, XLogP of 4.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is sourced from PubChem (CID 155548358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).