2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide

C15H16N6O3 — CID 99937211

IUPAC2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(C[C@H]1NC(=O)NC1=O)NCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H16N6O3/c22-12(8-10-14(23)19-15(24)17-10)16-7-6-11-18-13(21-20-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,22)(H,18,20,21)(H2,17,19,23,24)/t10-/m1/s1
InChIKeySSRPIOBTEGJDFW-SNVBAGLBSA-N
MW328.33 g/mol
LogP-0.27
Rot. Bonds6

About 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 99937211) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID99937211
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(C[C@H]1NC(=O)NC1=O)NCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H16N6O3/c22-12(8-10-14(23)19-15(24)17-10)16-7-6-11-18-13(21-20-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,22)(H,18,20,21)(H2,17,19,23,24)/t10-/m1/s1
InChIKeySSRPIOBTEGJDFW-SNVBAGLBSA-N
XLogP-0.27
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 99937211) is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(C[C@H]1NC(=O)NC1=O)NCCc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is SSRPIOBTEGJDFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N6O3/c22-12(8-10-14(23)19-15(24)17-10)16-7-6-11-18-13(21-20-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,22)(H,18,20,21)(H2,17,19,23,24)/t10-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 328.33 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 99937211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).