1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine

C13H13FIN3 — CID 106576412

IUPAC1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CC2)c(Nc2ccc(F)cc2I)n1
InChIInChI=1S/C13H13FIN3/c1-8-7-18(10-3-4-10)13(16-8)17-12-5-2-9(14)6-11(12)15/h2,5-7,10H,3-4H2,1H3,(H,16,17)
InChIKeyWFMBVBAVBMOTIZ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.01
Rot. Bonds3

About 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine

1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine (PubChem CID 106576412) has the molecular formula C13H13FIN3 and a molecular weight of 357.17 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine
PubChem CID106576412
Molecular FormulaC13H13FIN3
Molecular Weight357.17 g/mol
Exact Mass357.01
IUPAC Name1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CC2)c(Nc2ccc(F)cc2I)n1
InChIInChI=1S/C13H13FIN3/c1-8-7-18(10-3-4-10)13(16-8)17-12-5-2-9(14)6-11(12)15/h2,5-7,10H,3-4H2,1H3,(H,16,17)
InChIKeyWFMBVBAVBMOTIZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.01
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-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine (CID 106576412) is 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine is Cc1cn(C2CC2)c(Nc2ccc(F)cc2I)n1.
What is the InChIKey of 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine?
The InChIKey is WFMBVBAVBMOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN3/c1-8-7-18(10-3-4-10)13(16-8)17-12-5-2-9(14)6-11(12)15/h2,5-7,10H,3-4H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine?
1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine has a molecular weight of 357.17 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106576412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).