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

C15H16N6O3 — CID 91768811

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H16N6O3/c22-12(9-21-13(23)8-17-15(21)24)16-7-6-11-18-14(20-19-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,22)(H,17,24)(H,18,19,20)
InChIKeyDPXMFMJTYNUGMT-UHFFFAOYSA-N
MW328.33 g/mol
LogP-0.32
Rot. Bonds6

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

2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 91768811) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID91768811
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H16N6O3/c22-12(9-21-13(23)8-17-15(21)24)16-7-6-11-18-14(20-19-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,22)(H,17,24)(H,18,19,20)
InChIKeyDPXMFMJTYNUGMT-UHFFFAOYSA-N
XLogP-0.32
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 5-0.32
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-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 72905394
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 99937211
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110686709
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
2-(2,5-dioxoimidazolidin-1-yl)-N-(2,2-diphenylethyl)acetamide
CID 86975393
1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 146126673
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 166216312
5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 75508286
N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 71941577
5-oxo-5-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pentanoic acid
CID 123409970

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 91768811) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(CN1C(=O)CNC1=O)NCCc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is DPXMFMJTYNUGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c22-12(9-21-13(23)8-17-15(21)24)16-7-6-11-18-14(20-19-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,22)(H,17,24)(H,18,19,20).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(2,5-dioxoimidazolidin-1-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 -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 91768811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).