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

C12H13IN2O — CID 10616228

IUPAC5-[3-(3-iodophenoxy)propyl]-1H-imidazole
SMILESIc1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C12H13IN2O/c13-10-3-1-5-12(7-10)16-6-2-4-11-8-14-9-15-11/h1,3,5,7-9H,2,4,6H2,(H,14,15)
InChIKeyRWNLVTOEGZCMSN-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.03
Rot. Bonds5

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

5-[3-(3-iodophenoxy)propyl]-1H-imidazole (PubChem CID 10616228) has the molecular formula C12H13IN2O and a molecular weight of 328.15 g/mol. Its IUPAC name is 5-[3-(3-iodophenoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3-iodophenoxy)propyl]-1H-imidazole
PubChem CID10616228
Molecular FormulaC12H13IN2O
Molecular Weight328.15 g/mol
Exact Mass328.01
IUPAC Name5-[3-(3-iodophenoxy)propyl]-1H-imidazole
SMILESIc1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C12H13IN2O/c13-10-3-1-5-12(7-10)16-6-2-4-11-8-14-9-15-11/h1,3,5,7-9H,2,4,6H2,(H,14,15)
InChIKeyRWNLVTOEGZCMSN-UHFFFAOYSA-N
XLogP3.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.03
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-iodophenoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(3-iodophenoxy)propyl]-1H-imidazole (CID 10616228) is 5-[3-(3-iodophenoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(3-iodophenoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(3-iodophenoxy)propyl]-1H-imidazole is Ic1cccc(OCCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[3-(3-iodophenoxy)propyl]-1H-imidazole?
The InChIKey is RWNLVTOEGZCMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O/c13-10-3-1-5-12(7-10)16-6-2-4-11-8-14-9-15-11/h1,3,5,7-9H,2,4,6H2,(H,14,15).
What are the key properties of 5-[3-(3-iodophenoxy)propyl]-1H-imidazole?
5-[3-(3-iodophenoxy)propyl]-1H-imidazole has a molecular weight of 328.15 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-iodophenoxy)propyl]-1H-imidazole is sourced from PubChem (CID 10616228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).