2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C28H28N4O3 — CID 55622157

IUPAC2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C28H28N4O3/c33-25(29-23-13-15-24(16-14-23)30-17-7-8-18-30)20-32-27(34)26(22-11-5-2-6-12-22)31(28(32)35)19-21-9-3-1-4-10-21/h1-6,9-16,26H,7-8,17-20H2,(H,29,33)
InChIKeyTZPVOTKKUYWENQ-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.43
Rot. Bonds7

About 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 55622157) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID55622157
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C28H28N4O3/c33-25(29-23-13-15-24(16-14-23)30-17-7-8-18-30)20-32-27(34)26(22-11-5-2-6-12-22)31(28(32)35)19-21-9-3-1-4-10-21/h1-6,9-16,26H,7-8,17-20H2,(H,29,33)
InChIKeyTZPVOTKKUYWENQ-UHFFFAOYSA-N
XLogP4.43
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 55733350
1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-5-phenylimidazolidine-2,4-dione
CID 55733318
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55622160
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41456404
4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 55622382
2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78835208
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100500311
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 55622157) is 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is TZPVOTKKUYWENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c33-25(29-23-13-15-24(16-14-23)30-17-7-8-18-30)20-32-27(34)26(22-11-5-2-6-12-22)31(28(32)35)19-21-9-3-1-4-10-21/h1-6,9-16,26H,7-8,17-20H2,(H,29,33).
What are the key properties of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 468.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55622157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).