2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide

C7H10I2N4O — CID 130508612

IUPAC2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide
SMILESCC(N)(Cn1cnc(I)c1I)C(N)=O
InChIInChI=1S/C7H10I2N4O/c1-7(11,6(10)14)2-13-3-12-4(8)5(13)9/h3H,2,11H2,1H3,(H2,10,14)
InChIKeyGSXWSLFVBOSDQS-UHFFFAOYSA-N
MW419.99 g/mol
LogP0.29
Rot. Bonds3

About 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide

2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide (PubChem CID 130508612) has the molecular formula C7H10I2N4O and a molecular weight of 419.99 g/mol. Its IUPAC name is 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide
PubChem CID130508612
Molecular FormulaC7H10I2N4O
Molecular Weight419.99 g/mol
Exact Mass419.89
IUPAC Name2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide
SMILESCC(N)(Cn1cnc(I)c1I)C(N)=O
InChIInChI=1S/C7H10I2N4O/c1-7(11,6(10)14)2-13-3-12-4(8)5(13)9/h3H,2,11H2,1H3,(H2,10,14)
InChIKeyGSXWSLFVBOSDQS-UHFFFAOYSA-N
XLogP0.29
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.99
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide (CID 130508612) is 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide is CC(N)(Cn1cnc(I)c1I)C(N)=O.
What is the InChIKey of 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide?
The InChIKey is GSXWSLFVBOSDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10I2N4O/c1-7(11,6(10)14)2-13-3-12-4(8)5(13)9/h3H,2,11H2,1H3,(H2,10,14).
What are the key properties of 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide?
2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide has a molecular weight of 419.99 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 130508612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).