3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide

C24H26N4O3 — CID 75357103

IUPAC3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide
SMILESO=C(CCC1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccccc21
InChIInChI=1S/C24H26N4O3/c29-22(25-14-17-27-15-13-19-8-4-5-9-21(19)27)11-10-20-23(30)28(24(31)26-20)16-12-18-6-2-1-3-7-18/h1-9,13,15,20H,10-12,14,16-17H2,(H,25,29)(H,26,31)
InChIKeyGCQKSGMHUPDCGT-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.70
Rot. Bonds9

About 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide

3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide (PubChem CID 75357103) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide
PubChem CID75357103
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide
SMILESO=C(CCC1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccccc21
InChIInChI=1S/C24H26N4O3/c29-22(25-14-17-27-15-13-19-8-4-5-9-21(19)27)11-10-20-23(30)28(24(31)26-20)16-12-18-6-2-1-3-7-18/h1-9,13,15,20H,10-12,14,16-17H2,(H,25,29)(H,26,31)
InChIKeyGCQKSGMHUPDCGT-UHFFFAOYSA-N
XLogP2.70
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75356695
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71829558
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013
N-[2-(6-fluoroindol-1-yl)ethyl]-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124906565
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide?
The IUPAC name of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide (CID 75357103) is 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide.
What is the SMILES notation for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide?
The canonical SMILES for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide is O=C(CCC1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccccc21.
What is the InChIKey of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide?
The InChIKey is GCQKSGMHUPDCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22(25-14-17-27-15-13-19-8-4-5-9-21(19)27)11-10-20-23(30)28(24(31)26-20)16-12-18-6-2-1-3-7-18/h1-9,13,15,20H,10-12,14,16-17H2,(H,25,29)(H,26,31).
What are the key properties of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide?
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide has a molecular weight of 418.50 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide is sourced from PubChem (CID 75357103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).