4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole

C13H15IN2O — CID 59099630

IUPAC4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CCCOc1ccc(I)cc1
InChIInChI=1S/C13H15IN2O/c1-10-13(16-9-15-10)3-2-8-17-12-6-4-11(14)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,15,16)
InChIKeyRWZYUSZJVWUUFR-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.33
Rot. Bonds5

About 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole

4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole (PubChem CID 59099630) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole
PubChem CID59099630
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC Name4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CCCOc1ccc(I)cc1
InChIInChI=1S/C13H15IN2O/c1-10-13(16-9-15-10)3-2-8-17-12-6-4-11(14)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,15,16)
InChIKeyRWZYUSZJVWUUFR-UHFFFAOYSA-N
XLogP3.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole?
The IUPAC name of 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole (CID 59099630) is 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole is Cc1[nH]cnc1CCCOc1ccc(I)cc1.
What is the InChIKey of 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole?
The InChIKey is RWZYUSZJVWUUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O/c1-10-13(16-9-15-10)3-2-8-17-12-6-4-11(14)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,15,16).
What are the key properties of 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole?
4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole has a molecular weight of 342.18 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 59099630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).