4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide

C26H25N3O5 — CID 18416617

IUPAC4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide
SMILESO=C(CCCC1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccccc1)NO
InChIInChI=1S/C26H25N3O5/c30-24(27-33)13-7-12-23-25(31)29(26(32)28(23)18-19-8-3-1-4-9-19)20-14-16-22(17-15-20)34-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,33H,7,12-13,18H2,(H,27,30)
InChIKeyJYXBVSQZKNOBLU-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.49
Rot. Bonds9

About 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide

4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide (PubChem CID 18416617) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide
PubChem CID18416617
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide
SMILESO=C(CCCC1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccccc1)NO
InChIInChI=1S/C26H25N3O5/c30-24(27-33)13-7-12-23-25(31)29(26(32)28(23)18-19-8-3-1-4-9-19)20-14-16-22(17-15-20)34-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,33H,7,12-13,18H2,(H,27,30)
InChIKeyJYXBVSQZKNOBLU-UHFFFAOYSA-N
XLogP4.49
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
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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Related Compounds

N-Benzyl-N-hydroxycarbamoylmethyl-2-[3-(4-phenoxy-phenyl)-1-(3-phenyl-propyl)-ureido]-acetamide
CID 9894184
N-Hydroxycarbamoylmethyl-2-[3-(4-phenoxy-phenyl)-1-(3-phenyl-propyl)-ureido]-N-(4-phenyl-butyl)-acetamide
CID 9895099
(Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983730
(Z)-5-(4-((dimethylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983733
(Z)-5-(4-(azepan-1-ylmethyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983862
(Z)-5-(4-((2-(dimethylamino)ethylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983864
N-(4-methoxyphenyl)-2-{3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl}acetamide
CID 4874624
2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 4918748
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7819637
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 8158990
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-4-[3-(4-phenoxy-phenyl)-ureido]-benzamide
CID 9955811
2-{3-[2-(Cyclohex-1-EN-1-YL)ethyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-YL}-N-(4-ethoxyphenyl)acetamide
CID 16009098

Frequently Asked Questions

What is the IUPAC name of 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide (CID 18416617) is 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide is O=C(CCCC1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccccc1)NO.
What is the InChIKey of 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide?
The InChIKey is JYXBVSQZKNOBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c30-24(27-33)13-7-12-23-25(31)29(26(32)28(23)18-19-8-3-1-4-9-19)20-14-16-22(17-15-20)34-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,33H,7,12-13,18H2,(H,27,30).
What are the key properties of 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide?
4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide has a molecular weight of 459.50 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-benzyl-2,5-dioxo-1-(4-phenoxyphenyl)imidazolidin-4-yl]-N-hydroxybutanamide is sourced from PubChem (CID 18416617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).