1-Acetyl-2-imidazolidinone - ≥98%(GC) , CAS No.5391-39-9

CAS: 5391-39-9 Cat. No.: A133901 Molecular Weight: 128.13 Beilstein Registry Number: 24(5)1,40 EC Number: 226-388-3

GRADE & PURITY ≥98%(GC)

Synonyms

1-acetyl-imidazolidine-2-one | AKOS006343468 | N-acetyl-imidazolid-2-one | SCHEMBL440183 | EINECS 226-388-3 | N-acetyl-2imidazolidinone | N-Acetyl-2-Imidazolidinone | Carbamic chloride, N,N-bis(1-methylethyl)- | I618FH9ZLM | 1- Acetyl-imidazolidin-2-on |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-acetyl-imidazolidine-2-one | AKOS006343468 | N-acetyl-imidazolid-2-one | SCHEMBL440183 | EINECS 226-388-3 | N-acetyl-2imidazolidinone | N-Acetyl-2-Imidazolidinone | Carbamic chloride, N, N-bis(1-methylethyl)- | I618FH9ZLM | 1- Acetyl-imidazolidin-2-on |

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185719
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185719
• Canonical Smiles: CC(=O)N1CCNC1=O
• IUPAC Name: 1-acetylimidazolidin-2-one
• InChIKey: JJWACYUTERPMBM-UHFFFAOYSA-N
• INCHI: 1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
• Isomeric SMILES: CC(=O)N1CCNC1=O
• Molecular Weight: 128.13
• Beilstein: 24(5)1,40
• Reaxy-Rn: 116079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Ureas
        • Level5 Ureides
          • Level6 N-acyl ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Ureides
• Direct Parent: N-acyl ureas
• Alternative Parents: Imidazolidinones Dicarboximides Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl urea - Imidazolidinone - Dicarboximide - Imidazolidine - Acetamide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 185 °C
• Molecular Weight: 128.130 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.059 Da
• Monoisotopic Mass: 128.059 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1