2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide

C13H24N4O2 — CID 79959476

IUPAC2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C13H24N4O2/c1-5-16(6-2)11(18)7-10-12(14)15-13(19)17(10)8-9(3)4/h9-10H,5-8H2,1-4H3,(H2,14,15,19)
InChIKeyGFQVFYCMFZZLMK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.06
Rot. Bonds6

About 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide

2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide (PubChem CID 79959476) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide
PubChem CID79959476
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C13H24N4O2/c1-5-16(6-2)11(18)7-10-12(14)15-13(19)17(10)8-9(3)4/h9-10H,5-8H2,1-4H3,(H2,14,15,19)
InChIKeyGFQVFYCMFZZLMK-UHFFFAOYSA-N
XLogP1.06
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide (CID 79959476) is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CC1C(N)=NC(=O)N1CC(C)C.
What is the InChIKey of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide?
The InChIKey is GFQVFYCMFZZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-16(6-2)11(18)7-10-12(14)15-13(19)17(10)8-9(3)4/h9-10H,5-8H2,1-4H3,(H2,14,15,19).
What are the key properties of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide?
2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide has a molecular weight of 268.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 79959476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).