1-(4-fluoro-2-iodophenyl)imidazol-2-amine

C9H7FIN3 — CID 106576379

IUPAC1-(4-fluoro-2-iodophenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(F)cc1I
InChIInChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-4-3-13-9(14)12/h1-5H,(H2,12,13)
InChIKeyWETVAFGDBHEBSC-UHFFFAOYSA-N
MW303.08 g/mol
LogP2.20
Rot. Bonds1

About 1-(4-fluoro-2-iodophenyl)imidazol-2-amine

1-(4-fluoro-2-iodophenyl)imidazol-2-amine (PubChem CID 106576379) has the molecular formula C9H7FIN3 and a molecular weight of 303.08 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)imidazol-2-amine
PubChem CID106576379
Molecular FormulaC9H7FIN3
Molecular Weight303.08 g/mol
Exact Mass302.97
IUPAC Name1-(4-fluoro-2-iodophenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(F)cc1I
InChIInChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-4-3-13-9(14)12/h1-5H,(H2,12,13)
InChIKeyWETVAFGDBHEBSC-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 52.20
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-(4-chloro-2-iodophenyl)imidazol-2-amine
CID 107628322
1-(5-fluoro-2-methylphenyl)imidazol-2-amine
CID 106559251
1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
CID 106576416
1-(2-fluoro-4-methylphenyl)imidazol-2-amine
CID 106560390
1-(4-fluoro-2-iodophenyl)pyrazol-3-amine
CID 102942946
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
1-(2-fluoro-5-methoxyphenyl)imidazol-2-amine
CID 106576957
1-(2-chloro-5-methylphenyl)imidazol-2-amine
CID 107628162
1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43188939
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
CID 43313022
1-(4-fluoro-2-iodophenyl)tetrazole
CID 79766325

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)imidazol-2-amine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)imidazol-2-amine (CID 106576379) is 1-(4-fluoro-2-iodophenyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)imidazol-2-amine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)imidazol-2-amine is Nc1nccn1-c1ccc(F)cc1I.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)imidazol-2-amine?
The InChIKey is WETVAFGDBHEBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-4-3-13-9(14)12/h1-5H,(H2,12,13).
What are the key properties of 1-(4-fluoro-2-iodophenyl)imidazol-2-amine?
1-(4-fluoro-2-iodophenyl)imidazol-2-amine has a molecular weight of 303.08 g/mol, XLogP of 2.20, 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)imidazol-2-amine is sourced from PubChem (CID 106576379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).