2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide

C9H16N4O2 — CID 79960986

IUPAC2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1NC(=O)N=C1N
InChIInChI=1S/C9H16N4O2/c1-3-13(4-2)7(14)5-6-8(10)12-9(15)11-6/h6H,3-5H2,1-2H3,(H3,10,11,12,15)
InChIKeyDZHBWNSXNYVNNZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.31
Rot. Bonds4

About 2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide

2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide (PubChem CID 79960986) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide
PubChem CID79960986
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1NC(=O)N=C1N
InChIInChI=1S/C9H16N4O2/c1-3-13(4-2)7(14)5-6-8(10)12-9(15)11-6/h6H,3-5H2,1-2H3,(H3,10,11,12,15)
InChIKeyDZHBWNSXNYVNNZ-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-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide (CID 79960986) is 2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CC1NC(=O)N=C1N.
What is the InChIKey of 2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide?
The InChIKey is DZHBWNSXNYVNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-13(4-2)7(14)5-6-8(10)12-9(15)11-6/h6H,3-5H2,1-2H3,(H3,10,11,12,15).
What are the key properties of 2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide?
2-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide 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-(4-amino-2-oxo-1,5-dihydroimidazol-5-yl)-N,N-diethylacetamide is sourced from PubChem (CID 79960986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).