1-phenoxyimidazole

C9H8N2O — CID 14663892

IUPAC1-phenoxyimidazole
SMILESc1ccc(On2ccnc2)cc1
InChIInChI=1S/C9H8N2O/c1-2-4-9(5-3-1)12-11-7-6-10-8-11/h1-8H
InChIKeyLGZDIFHKZBIQLI-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.73
Rot. Bonds2

About 1-phenoxyimidazole

1-phenoxyimidazole (PubChem CID 14663892) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-phenoxyimidazole.

Molecular Properties

Compound Name1-phenoxyimidazole
PubChem CID14663892
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-phenoxyimidazole
SMILESc1ccc(On2ccnc2)cc1
InChIInChI=1S/C9H8N2O/c1-2-4-9(5-3-1)12-11-7-6-10-8-11/h1-8H
InChIKeyLGZDIFHKZBIQLI-UHFFFAOYSA-N
XLogP1.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxyimidazole?
The IUPAC name of 1-phenoxyimidazole (CID 14663892) is 1-phenoxyimidazole.
What is the SMILES notation for 1-phenoxyimidazole?
The canonical SMILES for 1-phenoxyimidazole is c1ccc(On2ccnc2)cc1.
What is the InChIKey of 1-phenoxyimidazole?
The InChIKey is LGZDIFHKZBIQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-2-4-9(5-3-1)12-11-7-6-10-8-11/h1-8H.
What are the key properties of 1-phenoxyimidazole?
1-phenoxyimidazole has a molecular weight of 160.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyimidazole is sourced from PubChem (CID 14663892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).