1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine

C13H8FI2N3 — CID 79766676

IUPAC1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1-c1ccc(F)cc1I
InChIInChI=1S/C13H8FI2N3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyTUBXKQJWGNHYBU-UHFFFAOYSA-N
MW479.03 g/mol
LogP3.96
Rot. Bonds1

About 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine

1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine (PubChem CID 79766676) has the molecular formula C13H8FI2N3 and a molecular weight of 479.03 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
PubChem CID79766676
Molecular FormulaC13H8FI2N3
Molecular Weight479.03 g/mol
Exact Mass478.88
IUPAC Name1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1-c1ccc(F)cc1I
InChIInChI=1S/C13H8FI2N3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyTUBXKQJWGNHYBU-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.03
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine (CID 79766676) is 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)ccc2n1-c1ccc(F)cc1I.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine?
The InChIKey is TUBXKQJWGNHYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FI2N3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine?
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine has a molecular weight of 479.03 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 79766676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).