1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine

C15H9FIN3S — CID 66101395

IUPAC1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1-c1ccc2sccc2c1
InChIInChI=1S/C15H9FIN3S/c16-10-6-13-12(7-11(10)17)19-15(18)20(13)9-1-2-14-8(5-9)3-4-21-14/h1-7H,(H2,18,19)
InChIKeyXSZSURANALRNCX-UHFFFAOYSA-N
MW409.23 g/mol
LogP4.57
Rot. Bonds1

About 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine

1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 66101395) has the molecular formula C15H9FIN3S and a molecular weight of 409.23 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID66101395
Molecular FormulaC15H9FIN3S
Molecular Weight409.23 g/mol
Exact Mass408.95
IUPAC Name1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1-c1ccc2sccc2c1
InChIInChI=1S/C15H9FIN3S/c16-10-6-13-12(7-11(10)17)19-15(18)20(13)9-1-2-14-8(5-9)3-4-21-14/h1-7H,(H2,18,19)
InChIKeyXSZSURANALRNCX-UHFFFAOYSA-N
XLogP4.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 54.57
H-Bond Donors ≤ 51
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 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 66101395) is 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1-c1ccc2sccc2c1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is XSZSURANALRNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FIN3S/c16-10-6-13-12(7-11(10)17)19-15(18)20(13)9-1-2-14-8(5-9)3-4-21-14/h1-7H,(H2,18,19).
What are the key properties of 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 409.23 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66101395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).