3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide

C23H24N6O3 — CID 91821927

IUPAC3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESO=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCc2ccccc2)n1
InChIInChI=1S/C23H24N6O3/c30-20(26-22-25-19(27-28-22)13-11-16-7-3-1-4-8-16)14-12-18-21(31)29(23(32)24-18)15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,32)(H2,25,26,27,28,30)
InChIKeySHMWUKJIHRGVDP-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.43
Rot. Bonds9

About 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide

3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 91821927) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID91821927
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESO=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCc2ccccc2)n1
InChIInChI=1S/C23H24N6O3/c30-20(26-22-25-19(27-28-22)13-11-16-7-3-1-4-8-16)14-12-18-21(31)29(23(32)24-18)15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,32)(H2,25,26,27,28,30)
InChIKeySHMWUKJIHRGVDP-UHFFFAOYSA-N
XLogP2.43
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.43
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

3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 91639366
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(4-phenoxyphenyl)propanamide
CID 73259731
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488771
ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
CID 124863935
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91822742
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 124861449
ethyl 2-[3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 91639054
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxypropanamide
CID 87094358

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 91821927) is 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide is O=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCc2ccccc2)n1.
What is the InChIKey of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is SHMWUKJIHRGVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-20(26-22-25-19(27-28-22)13-11-16-7-3-1-4-8-16)14-12-18-21(31)29(23(32)24-18)15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,32)(H2,25,26,27,28,30).
What are the key properties of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide?
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 432.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 91821927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).