2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide

C9H16N4O2 — CID 79959886

IUPAC2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide
SMILESCCCN1C(=O)N=C(N)C1CC(=O)NC
InChIInChI=1S/C9H16N4O2/c1-3-4-13-6(5-7(14)11-2)8(10)12-9(13)15/h6H,3-5H2,1-2H3,(H,11,14)(H2,10,12,15)
InChIKeyNECXQMBBYHQKTL-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.31
Rot. Bonds4

About 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide

2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide (PubChem CID 79959886) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide
PubChem CID79959886
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide
SMILESCCCN1C(=O)N=C(N)C1CC(=O)NC
InChIInChI=1S/C9H16N4O2/c1-3-4-13-6(5-7(14)11-2)8(10)12-9(13)15/h6H,3-5H2,1-2H3,(H,11,14)(H2,10,12,15)
InChIKeyNECXQMBBYHQKTL-UHFFFAOYSA-N
XLogP-0.31
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide?
The IUPAC name of 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide (CID 79959886) is 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide is CCCN1C(=O)N=C(N)C1CC(=O)NC.
What is the InChIKey of 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide?
The InChIKey is NECXQMBBYHQKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-4-13-6(5-7(14)11-2)8(10)12-9(13)15/h6H,3-5H2,1-2H3,(H,11,14)(H2,10,12,15).
What are the key properties of 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide?
2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide has a molecular weight of 212.25 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 79959886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).