1-(oxan-4-ylmethyl)-4-phenylimidazole

C15H18N2O — CID 167444782

IUPAC1-(oxan-4-ylmethyl)-4-phenylimidazole
SMILESc1ccc(-c2cn(CC3CCOCC3)cn2)cc1
InChIInChI=1S/C15H18N2O/c1-2-4-14(5-3-1)15-11-17(12-16-15)10-13-6-8-18-9-7-13/h1-5,11-13H,6-10H2
InChIKeyURTNGSVIZOBAPY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.98
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-4-phenylimidazole

1-(oxan-4-ylmethyl)-4-phenylimidazole (PubChem CID 167444782) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-4-phenylimidazole.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-4-phenylimidazole
PubChem CID167444782
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(oxan-4-ylmethyl)-4-phenylimidazole
SMILESc1ccc(-c2cn(CC3CCOCC3)cn2)cc1
InChIInChI=1S/C15H18N2O/c1-2-4-14(5-3-1)15-11-17(12-16-15)10-13-6-8-18-9-7-13/h1-5,11-13H,6-10H2
InChIKeyURTNGSVIZOBAPY-UHFFFAOYSA-N
XLogP2.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-4-phenylimidazole?
The IUPAC name of 1-(oxan-4-ylmethyl)-4-phenylimidazole (CID 167444782) is 1-(oxan-4-ylmethyl)-4-phenylimidazole.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-4-phenylimidazole?
The canonical SMILES for 1-(oxan-4-ylmethyl)-4-phenylimidazole is c1ccc(-c2cn(CC3CCOCC3)cn2)cc1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-4-phenylimidazole?
The InChIKey is URTNGSVIZOBAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-4-14(5-3-1)15-11-17(12-16-15)10-13-6-8-18-9-7-13/h1-5,11-13H,6-10H2.
What are the key properties of 1-(oxan-4-ylmethyl)-4-phenylimidazole?
1-(oxan-4-ylmethyl)-4-phenylimidazole has a molecular weight of 242.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-4-phenylimidazole is sourced from PubChem (CID 167444782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).