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

C9H7FIN3 — CID 106576399

IUPACN-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine
SMILESFc1ccc(Nc2ncc[nH]2)c(I)c1
InChIInChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-9-12-3-4-13-9/h1-5H,(H2,12,13,14)
InChIKeyBKWOTKHRRMEZBO-UHFFFAOYSA-N
MW303.08 g/mol
LogP2.90
Rot. Bonds2

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

N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine (PubChem CID 106576399) has the molecular formula C9H7FIN3 and a molecular weight of 303.08 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine
PubChem CID106576399
Molecular FormulaC9H7FIN3
Molecular Weight303.08 g/mol
Exact Mass302.97
IUPAC NameN-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine
SMILESFc1ccc(Nc2ncc[nH]2)c(I)c1
InChIInChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-9-12-3-4-13-9/h1-5H,(H2,12,13,14)
InChIKeyBKWOTKHRRMEZBO-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1H-imidazol-2-amine
CID 106559677
N-(4-fluorophenyl)-1H-imidazol-2-amine
CID 83695842
4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80849441
N-(2-fluoro-5-methylphenyl)-1H-imidazol-2-amine
CID 106561042
2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 79766787
5-bromo-N-(4-fluoro-2-iodophenyl)pyrimidin-4-amine
CID 79772541
N-(2,4-dibromophenyl)-1H-imidazol-2-amine
CID 106568716
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
N-[(4-fluorophenyl)methyl]-1H-imidazol-2-amine
CID 83697845
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849992
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
CID 79769203

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine (CID 106576399) is N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine is Fc1ccc(Nc2ncc[nH]2)c(I)c1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine?
The InChIKey is BKWOTKHRRMEZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-9-12-3-4-13-9/h1-5H,(H2,12,13,14).
What are the key properties of N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine?
N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine has a molecular weight of 303.08 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106576399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).