5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole

C10H15IN2O2 — CID 86687194

IUPAC5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
SMILESIc1cncn1CCOC1CCCCO1
InChIInChI=1S/C10H15IN2O2/c11-9-7-12-8-13(9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2
InChIKeyCGGLCADPUFPECR-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.03
Rot. Bonds4

About 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole

5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole (PubChem CID 86687194) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole.

Molecular Properties

Compound Name5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
PubChem CID86687194
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
SMILESIc1cncn1CCOC1CCCCO1
InChIInChI=1S/C10H15IN2O2/c11-9-7-12-8-13(9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2
InChIKeyCGGLCADPUFPECR-UHFFFAOYSA-N
XLogP2.03
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine
CID 123399905
cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol
CID 169042452
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496
2-nitro-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 90063267
2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129411763
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
CID 99837452
2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101178662

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole?
The IUPAC name of 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole (CID 86687194) is 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole.
What is the SMILES notation for 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole?
The canonical SMILES for 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole is Ic1cncn1CCOC1CCCCO1.
What is the InChIKey of 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole?
The InChIKey is CGGLCADPUFPECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c11-9-7-12-8-13(9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2.
What are the key properties of 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole?
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole has a molecular weight of 322.15 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole is sourced from PubChem (CID 86687194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).