2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide

C9H16N4O2 — CID 79960299

IUPAC2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide
SMILESCC(C)CN1C(=O)N=C(N)C1CC(N)=O
InChIInChI=1S/C9H16N4O2/c1-5(2)4-13-6(3-7(10)14)8(11)12-9(13)15/h5-6H,3-4H2,1-2H3,(H2,10,14)(H2,11,12,15)
InChIKeyBGMOQIQQRANOPD-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.32
Rot. Bonds4

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

2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide (PubChem CID 79960299) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide
PubChem CID79960299
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide
SMILESCC(C)CN1C(=O)N=C(N)C1CC(N)=O
InChIInChI=1S/C9H16N4O2/c1-5(2)4-13-6(3-7(10)14)8(11)12-9(13)15/h5-6H,3-4H2,1-2H3,(H2,10,14)(H2,11,12,15)
InChIKeyBGMOQIQQRANOPD-UHFFFAOYSA-N
XLogP-0.32
TPSA101.78 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 ≤ 5-0.32
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]acetamide?
The IUPAC name of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide (CID 79960299) is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide?
The canonical SMILES for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide is CC(C)CN1C(=O)N=C(N)C1CC(N)=O.
What is the InChIKey of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide?
The InChIKey is BGMOQIQQRANOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5(2)4-13-6(3-7(10)14)8(11)12-9(13)15/h5-6H,3-4H2,1-2H3,(H2,10,14)(H2,11,12,15).
What are the key properties of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide?
2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.32, 4 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]acetamide is sourced from PubChem (CID 79960299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).