N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide

C11H17N3O2 — CID 136592186

IUPACN-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
SMILESCCCCCCNC(=O)C=C1N=CNC1=O
InChIInChI=1S/C11H17N3O2/c1-2-3-4-5-6-12-10(15)7-9-11(16)14-8-13-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14,16)
InChIKeyYPXBDDNSYZKXAP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds6

About N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide

N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide (PubChem CID 136592186) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
PubChem CID136592186
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
SMILESCCCCCCNC(=O)C=C1N=CNC1=O
InChIInChI=1S/C11H17N3O2/c1-2-3-4-5-6-12-10(15)7-9-11(16)14-8-13-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14,16)
InChIKeyYPXBDDNSYZKXAP-UHFFFAOYSA-N
XLogP0.72
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide?
The IUPAC name of N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide (CID 136592186) is N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide.
What is the SMILES notation for N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide?
The canonical SMILES for N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide is CCCCCCNC(=O)C=C1N=CNC1=O.
What is the InChIKey of N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide?
The InChIKey is YPXBDDNSYZKXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-4-5-6-12-10(15)7-9-11(16)14-8-13-9/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14,16).
What are the key properties of N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide?
N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide is sourced from PubChem (CID 136592186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).