4-deuterio-1-(oxan-4-yl)imidazole

C8H12N2O — CID 175933396

IUPAC4-deuterio-1-(oxan-4-yl)imidazole
SMILES[2H]c1cn(C2CCOCC2)cn1
InChIInChI=1S/C8H12N2O/c1-5-11-6-2-8(1)10-4-3-9-7-10/h3-4,7-8H,1-2,5-6H2/i3D
InChIKeyXIYXGNXFMBGEHT-WFVSFCRTSA-N
MW153.20 g/mol
LogP1.23
Rot. Bonds1

About 4-deuterio-1-(oxan-4-yl)imidazole

4-deuterio-1-(oxan-4-yl)imidazole (PubChem CID 175933396) has the molecular formula C8H12N2O and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-deuterio-1-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name4-deuterio-1-(oxan-4-yl)imidazole
PubChem CID175933396
Molecular FormulaC8H12N2O
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name4-deuterio-1-(oxan-4-yl)imidazole
SMILES[2H]c1cn(C2CCOCC2)cn1
InChIInChI=1S/C8H12N2O/c1-5-11-6-2-8(1)10-4-3-9-7-10/h3-4,7-8H,1-2,5-6H2/i3D
InChIKeyXIYXGNXFMBGEHT-WFVSFCRTSA-N
XLogP1.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-deuterio-1-(oxan-4-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-1-(oxan-4-yl)imidazole?
The IUPAC name of 4-deuterio-1-(oxan-4-yl)imidazole (CID 175933396) is 4-deuterio-1-(oxan-4-yl)imidazole.
What is the SMILES notation for 4-deuterio-1-(oxan-4-yl)imidazole?
The canonical SMILES for 4-deuterio-1-(oxan-4-yl)imidazole is [2H]c1cn(C2CCOCC2)cn1.
What is the InChIKey of 4-deuterio-1-(oxan-4-yl)imidazole?
The InChIKey is XIYXGNXFMBGEHT-WFVSFCRTSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-11-6-2-8(1)10-4-3-9-7-10/h3-4,7-8H,1-2,5-6H2/i3D.
What are the key properties of 4-deuterio-1-(oxan-4-yl)imidazole?
4-deuterio-1-(oxan-4-yl)imidazole has a molecular weight of 153.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-1-(oxan-4-yl)imidazole is sourced from PubChem (CID 175933396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).