5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole

C13H15IN2O — CID 10712303

IUPAC5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole
SMILESIc1cccc(COCCCc2cnc[nH]2)c1
InChIInChI=1S/C13H15IN2O/c14-12-4-1-3-11(7-12)9-17-6-2-5-13-8-15-10-16-13/h1,3-4,7-8,10H,2,5-6,9H2,(H,15,16)
InChIKeyDSLWGMUARAKNBH-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.16
Rot. Bonds6

About 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole

5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole (PubChem CID 10712303) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole
PubChem CID10712303
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC Name5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole
SMILESIc1cccc(COCCCc2cnc[nH]2)c1
InChIInChI=1S/C13H15IN2O/c14-12-4-1-3-11(7-12)9-17-6-2-5-13-8-15-10-16-13/h1,3-4,7-8,10H,2,5-6,9H2,(H,15,16)
InChIKeyDSLWGMUARAKNBH-UHFFFAOYSA-N
XLogP3.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.16
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 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole?
The IUPAC name of 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole (CID 10712303) is 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole?
The canonical SMILES for 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole is Ic1cccc(COCCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole?
The InChIKey is DSLWGMUARAKNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O/c14-12-4-1-3-11(7-12)9-17-6-2-5-13-8-15-10-16-13/h1,3-4,7-8,10H,2,5-6,9H2,(H,15,16).
What are the key properties of 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole?
5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole has a molecular weight of 342.18 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3-iodophenyl)methoxy]propyl]-1H-imidazole is sourced from PubChem (CID 10712303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).