2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C24H28N4O4 — CID 42893512

IUPAC2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1CN1C(=O)CNC1=O)N1CCCC1
InChIInChI=1S/C24H28N4O4/c1-32-21-11-5-4-10-19(21)20(27-12-6-7-13-27)14-25-23(30)18-9-3-2-8-17(18)16-28-22(29)15-26-24(28)31/h2-5,8-11,20H,6-7,12-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyILHPWSADJOQORV-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.31
Rot. Bonds8

About 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 42893512) 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-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID42893512
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1CN1C(=O)CNC1=O)N1CCCC1
InChIInChI=1S/C24H28N4O4/c1-32-21-11-5-4-10-19(21)20(27-12-6-7-13-27)14-25-23(30)18-9-3-2-8-17(18)16-28-22(29)15-26-24(28)31/h2-5,8-11,20H,6-7,12-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyILHPWSADJOQORV-UHFFFAOYSA-N
XLogP2.31
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 32749513
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 45351971
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533705
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 42893512) is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1ccccc1C(CNC(=O)c1ccccc1CN1C(=O)CNC1=O)N1CCCC1.
What is the InChIKey of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is ILHPWSADJOQORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-32-21-11-5-4-10-19(21)20(27-12-6-7-13-27)14-25-23(30)18-9-3-2-8-17(18)16-28-22(29)15-26-24(28)31/h2-5,8-11,20H,6-7,12-16H2,1H3,(H,25,30)(H,26,31).
What are the key properties of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 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-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 42893512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).