1-(oxan-2-yl)imidazole

C8H12N2O — CID 58743621

IUPAC1-(oxan-2-yl)imidazole
SMILESc1cn(C2CCCCO2)cn1
InChIInChI=1S/C8H12N2O/c1-2-6-11-8(3-1)10-5-4-9-7-10/h4-5,7-8H,1-3,6H2
InChIKeyLHAZJODSQOTFJH-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.58
Rot. Bonds1

About 1-(oxan-2-yl)imidazole

1-(oxan-2-yl)imidazole (PubChem CID 58743621) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(oxan-2-yl)imidazole.

Molecular Properties

Compound Name1-(oxan-2-yl)imidazole
PubChem CID58743621
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(oxan-2-yl)imidazole
SMILESc1cn(C2CCCCO2)cn1
InChIInChI=1S/C8H12N2O/c1-2-6-11-8(3-1)10-5-4-9-7-10/h4-5,7-8H,1-3,6H2
InChIKeyLHAZJODSQOTFJH-UHFFFAOYSA-N
XLogP1.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)imidazole?
The IUPAC name of 1-(oxan-2-yl)imidazole (CID 58743621) is 1-(oxan-2-yl)imidazole.
What is the SMILES notation for 1-(oxan-2-yl)imidazole?
The canonical SMILES for 1-(oxan-2-yl)imidazole is c1cn(C2CCCCO2)cn1.
What is the InChIKey of 1-(oxan-2-yl)imidazole?
The InChIKey is LHAZJODSQOTFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-6-11-8(3-1)10-5-4-9-7-10/h4-5,7-8H,1-3,6H2.
What are the key properties of 1-(oxan-2-yl)imidazole?
1-(oxan-2-yl)imidazole has a molecular weight of 152.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)imidazole is sourced from PubChem (CID 58743621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).