2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide

C24H28N4O4 — CID 56555313

IUPAC2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C24H28N4O4/c29-20-9-11-27(12-10-20)15-18-7-5-17(6-8-18)13-25-23(31)21-4-2-1-3-19(21)16-28-22(30)14-26-24(28)32/h1-8,20,29H,9-16H2,(H,25,31)(H,26,32)
InChIKeySMGBMPSEUWTEGI-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.63
Rot. Bonds7

About 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 56555313) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID56555313
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C24H28N4O4/c29-20-9-11-27(12-10-20)15-18-7-5-17(6-8-18)13-25-23(31)21-4-2-1-3-19(21)16-28-22(30)14-26-24(28)32/h1-8,20,29H,9-16H2,(H,25,31)(H,26,32)
InChIKeySMGBMPSEUWTEGI-UHFFFAOYSA-N
XLogP1.63
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35052429
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 17485480
N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18135800
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 18135535
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168732
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642395
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56555213
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 126793113
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42893512

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 56555313) is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide is O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1CN1C(=O)CNC1=O.
What is the InChIKey of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is SMGBMPSEUWTEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-20-9-11-27(12-10-20)15-18-7-5-17(6-8-18)13-25-23(31)21-4-2-1-3-19(21)16-28-22(30)14-26-24(28)32/h1-8,20,29H,9-16H2,(H,25,31)(H,26,32).
What are the key properties of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 1.63, 7 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-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 56555313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).