2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide

C23H25ClN4O5 — CID 175797157

IUPAC2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide
SMILESCCC(NC(=O)CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1)C(=O)NO
InChIInChI=1S/C23H25ClN4O5/c1-2-18(21(30)26-33)25-20(29)13-12-19-22(31)28(17-10-8-16(24)9-11-17)23(32)27(19)14-15-6-4-3-5-7-15/h3-11,18-19,33H,2,12-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyJYUCHZGHKGUNAC-UHFFFAOYSA-N
MW472.93 g/mol
LogP2.86
Rot. Bonds9

About 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide

2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide (PubChem CID 175797157) has the molecular formula C23H25ClN4O5 and a molecular weight of 472.93 g/mol. Its IUPAC name is 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide.

Molecular Properties

Compound Name2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide
PubChem CID175797157
Molecular FormulaC23H25ClN4O5
Molecular Weight472.93 g/mol
Exact Mass472.15
IUPAC Name2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide
SMILESCCC(NC(=O)CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1)C(=O)NO
InChIInChI=1S/C23H25ClN4O5/c1-2-18(21(30)26-33)25-20(29)13-12-19-22(31)28(17-10-8-16(24)9-11-17)23(32)27(19)14-15-6-4-3-5-7-15/h3-11,18-19,33H,2,12-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyJYUCHZGHKGUNAC-UHFFFAOYSA-N
XLogP2.86
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 52.86
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 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide?
The IUPAC name of 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide (CID 175797157) is 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide.
What is the SMILES notation for 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide?
The canonical SMILES for 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide is CCC(NC(=O)CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1)C(=O)NO.
What is the InChIKey of 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide?
The InChIKey is JYUCHZGHKGUNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5/c1-2-18(21(30)26-33)25-20(29)13-12-19-22(31)28(17-10-8-16(24)9-11-17)23(32)27(19)14-15-6-4-3-5-7-15/h3-11,18-19,33H,2,12-14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide?
2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide has a molecular weight of 472.93 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide is sourced from PubChem (CID 175797157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).