6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine

C11H9FIN5O — CID 106406282

IUPAC6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1CCc1ncon1
InChIInChI=1S/C11H9FIN5O/c12-6-3-9-8(4-7(6)13)16-11(14)18(9)2-1-10-15-5-19-17-10/h3-5H,1-2H2,(H2,14,16)
InChIKeyIZMLPBAXQUHZFH-UHFFFAOYSA-N
MW373.13 g/mol
LogP1.99
Rot. Bonds3

About 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine

6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 106406282) has the molecular formula C11H9FIN5O and a molecular weight of 373.13 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID106406282
Molecular FormulaC11H9FIN5O
Molecular Weight373.13 g/mol
Exact Mass372.98
IUPAC Name6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1CCc1ncon1
InChIInChI=1S/C11H9FIN5O/c12-6-3-9-8(4-7(6)13)16-11(14)18(9)2-1-10-15-5-19-17-10/h3-5H,1-2H2,(H2,14,16)
InChIKeyIZMLPBAXQUHZFH-UHFFFAOYSA-N
XLogP1.99
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (CID 106406282) is 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1CCc1ncon1.
What is the InChIKey of 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is IZMLPBAXQUHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN5O/c12-6-3-9-8(4-7(6)13)16-11(14)18(9)2-1-10-15-5-19-17-10/h3-5H,1-2H2,(H2,14,16).
What are the key properties of 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 373.13 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106406282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).