2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide

C16H18N6O3 — CID 99974724

IUPAC2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESO=C1CN(CC(=O)N[C@H](CCn2cncn2)c2ccccc2)C(=O)N1
InChIInChI=1S/C16H18N6O3/c23-14(8-21-9-15(24)20-16(21)25)19-13(12-4-2-1-3-5-12)6-7-22-11-17-10-18-22/h1-5,10-11,13H,6-9H2,(H,19,23)(H,20,24,25)/t13-/m1/s1
InChIKeyNIIBTPKJIFEYOC-CYBMUJFWSA-N
MW342.36 g/mol
LogP0.08
Rot. Bonds7

About 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide

2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide (PubChem CID 99974724) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
PubChem CID99974724
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESO=C1CN(CC(=O)N[C@H](CCn2cncn2)c2ccccc2)C(=O)N1
InChIInChI=1S/C16H18N6O3/c23-14(8-21-9-15(24)20-16(21)25)19-13(12-4-2-1-3-5-12)6-7-22-11-17-10-18-22/h1-5,10-11,13H,6-9H2,(H,19,23)(H,20,24,25)/t13-/m1/s1
InChIKeyNIIBTPKJIFEYOC-CYBMUJFWSA-N
XLogP0.08
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
CID 77094542
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 126445618
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138809256
N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94198507
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 99995548
N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97140479

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide (CID 99974724) is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide is O=C1CN(CC(=O)N[C@H](CCn2cncn2)c2ccccc2)C(=O)N1.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The InChIKey is NIIBTPKJIFEYOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6O3/c23-14(8-21-9-15(24)20-16(21)25)19-13(12-4-2-1-3-5-12)6-7-22-11-17-10-18-22/h1-5,10-11,13H,6-9H2,(H,19,23)(H,20,24,25)/t13-/m1/s1.
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 99974724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).