2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide

C10H18N4O2 — CID 79960890

IUPAC2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide
SMILESCN1C(=O)N=C(N)C1CC(=O)NC(C)(C)C
InChIInChI=1S/C10H18N4O2/c1-10(2,3)13-7(15)5-6-8(11)12-9(16)14(6)4/h6H,5H2,1-4H3,(H,13,15)(H2,11,12,16)
InChIKeyQEEGULGNBBBNIY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.08
Rot. Bonds2

About 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide

2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide (PubChem CID 79960890) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide
PubChem CID79960890
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide
SMILESCN1C(=O)N=C(N)C1CC(=O)NC(C)(C)C
InChIInChI=1S/C10H18N4O2/c1-10(2,3)13-7(15)5-6-8(11)12-9(16)14(6)4/h6H,5H2,1-4H3,(H,13,15)(H2,11,12,16)
InChIKeyQEEGULGNBBBNIY-UHFFFAOYSA-N
XLogP0.08
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide (CID 79960890) is 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide is CN1C(=O)N=C(N)C1CC(=O)NC(C)(C)C.
What is the InChIKey of 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide?
The InChIKey is QEEGULGNBBBNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3)13-7(15)5-6-8(11)12-9(16)14(6)4/h6H,5H2,1-4H3,(H,13,15)(H2,11,12,16).
What are the key properties of 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide?
2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide has a molecular weight of 226.28 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide is sourced from PubChem (CID 79960890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).