2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide

C24H28N4O5 — CID 24596736

IUPAC2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C24H28N4O5/c1-2-3-4-7-14-33-19-12-10-17(11-13-19)22(30)26-27-23(31)20-9-6-5-8-18(20)16-28-21(29)15-25-24(28)32/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyBNKIMUQLCPXHMW-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.77
Rot. Bonds10

About 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide (PubChem CID 24596736) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide
PubChem CID24596736
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C24H28N4O5/c1-2-3-4-7-14-33-19-12-10-17(11-13-19)22(30)26-27-23(31)20-9-6-5-8-18(20)16-28-21(29)15-25-24(28)32/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyBNKIMUQLCPXHMW-UHFFFAOYSA-N
XLogP2.77
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
CID 4950819
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18137040
4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163669
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
[(4-octoxybenzoyl)amino]thiourea
CID 86177664

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide?
The IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide (CID 24596736) is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1.
What is the InChIKey of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide?
The InChIKey is BNKIMUQLCPXHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-2-3-4-7-14-33-19-12-10-17(11-13-19)22(30)26-27-23(31)20-9-6-5-8-18(20)16-28-21(29)15-25-24(28)32/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,25,32)(H,26,30)(H,27,31).
What are the key properties of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide?
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide has a molecular weight of 452.51 g/mol, XLogP of 2.77, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide is sourced from PubChem (CID 24596736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).