5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine

C13H9FIN3 — CID 43661747

IUPAC5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1-c1ccccc1I
InChIInChI=1S/C13H9FIN3/c14-8-5-6-12-10(7-8)17-13(16)18(12)11-4-2-1-3-9(11)15/h1-7H,(H2,16,17)
InChIKeyYBHPOQQKCQBLFT-UHFFFAOYSA-N
MW353.14 g/mol
LogP3.35
Rot. Bonds1

About 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine

5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine (PubChem CID 43661747) has the molecular formula C13H9FIN3 and a molecular weight of 353.14 g/mol. Its IUPAC name is 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine
PubChem CID43661747
Molecular FormulaC13H9FIN3
Molecular Weight353.14 g/mol
Exact Mass352.98
IUPAC Name5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1-c1ccccc1I
InChIInChI=1S/C13H9FIN3/c14-8-5-6-12-10(7-8)17-13(16)18(12)11-4-2-1-3-9(11)15/h1-7H,(H2,16,17)
InChIKeyYBHPOQQKCQBLFT-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodophenyl)-5-methylbenzimidazol-2-amine
CID 43661748
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107607210
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
CID 82766861
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 43661787
5-fluoro-1-(4-fluoro-2-iodophenyl)-6-methoxybenzimidazol-2-amine
CID 79761482
5-iodo-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66082790
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine (CID 43661747) is 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine is Nc1nc2cc(F)ccc2n1-c1ccccc1I.
What is the InChIKey of 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine?
The InChIKey is YBHPOQQKCQBLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FIN3/c14-8-5-6-12-10(7-8)17-13(16)18(12)11-4-2-1-3-9(11)15/h1-7H,(H2,16,17).
What are the key properties of 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine?
5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine has a molecular weight of 353.14 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine is sourced from PubChem (CID 43661747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).