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

C12H22N4O2 — CID 79960306

IUPAC2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)CN1C(=O)N=C(N)C1CC(=O)NC(C)C
InChIInChI=1S/C12H22N4O2/c1-7(2)6-16-9(11(13)15-12(16)18)5-10(17)14-8(3)4/h7-9H,5-6H2,1-4H3,(H,14,17)(H2,13,15,18)
InChIKeyYHYQTYIYBZTNEW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.72
Rot. Bonds5

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

2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 79960306) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide
PubChem CID79960306
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)CN1C(=O)N=C(N)C1CC(=O)NC(C)C
InChIInChI=1S/C12H22N4O2/c1-7(2)6-16-9(11(13)15-12(16)18)5-10(17)14-8(3)4/h7-9H,5-6H2,1-4H3,(H,14,17)(H2,13,15,18)
InChIKeyYHYQTYIYBZTNEW-UHFFFAOYSA-N
XLogP0.72
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.72
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-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide (CID 79960306) is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide is CC(C)CN1C(=O)N=C(N)C1CC(=O)NC(C)C.
What is the InChIKey of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is YHYQTYIYBZTNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-7(2)6-16-9(11(13)15-12(16)18)5-10(17)14-8(3)4/h7-9H,5-6H2,1-4H3,(H,14,17)(H2,13,15,18).
What are the key properties of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide?
2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 254.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 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-propan-2-ylacetamide is sourced from PubChem (CID 79960306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).