5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole

C15H19IN2O — CID 10317056

IUPAC5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole
SMILESIc1ccc(CCCOCCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H19IN2O/c16-14-7-5-13(6-8-14)3-1-9-19-10-2-4-15-11-17-12-18-15/h5-8,11-12H,1-4,9-10H2,(H,17,18)
InChIKeyCEQTUMPCLZAZJB-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.60
Rot. Bonds8

About 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole

5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole (PubChem CID 10317056) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole
PubChem CID10317056
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC Name5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole
SMILESIc1ccc(CCCOCCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H19IN2O/c16-14-7-5-13(6-8-14)3-1-9-19-10-2-4-15-11-17-12-18-15/h5-8,11-12H,1-4,9-10H2,(H,17,18)
InChIKeyCEQTUMPCLZAZJB-UHFFFAOYSA-N
XLogP3.60
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.60
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-(4-iodophenyl)propoxy]propyl]-1H-imidazole?
The IUPAC name of 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole (CID 10317056) is 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole?
The canonical SMILES for 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole is Ic1ccc(CCCOCCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole?
The InChIKey is CEQTUMPCLZAZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c16-14-7-5-13(6-8-14)3-1-9-19-10-2-4-15-11-17-12-18-15/h5-8,11-12H,1-4,9-10H2,(H,17,18).
What are the key properties of 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole?
5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole has a molecular weight of 370.23 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4-iodophenyl)propoxy]propyl]-1H-imidazole is sourced from PubChem (CID 10317056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).