2-(oxan-4-ylmethyl)-1H-imidazole

C9H14N2O — CID 90960091

IUPAC2-(oxan-4-ylmethyl)-1H-imidazole
SMILESc1c[nH]c(CC2CCOCC2)n1
InChIInChI=1S/C9H14N2O/c1-5-12-6-2-8(1)7-9-10-3-4-11-9/h3-4,8H,1-2,5-7H2,(H,10,11)
InChIKeyRMJFTGLCKCCNDR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.38
Rot. Bonds2

About 2-(oxan-4-ylmethyl)-1H-imidazole

2-(oxan-4-ylmethyl)-1H-imidazole (PubChem CID 90960091) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-1H-imidazole
PubChem CID90960091
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(oxan-4-ylmethyl)-1H-imidazole
SMILESc1c[nH]c(CC2CCOCC2)n1
InChIInChI=1S/C9H14N2O/c1-5-12-6-2-8(1)7-9-10-3-4-11-9/h3-4,8H,1-2,5-7H2,(H,10,11)
InChIKeyRMJFTGLCKCCNDR-UHFFFAOYSA-N
XLogP1.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-1H-imidazole?
The IUPAC name of 2-(oxan-4-ylmethyl)-1H-imidazole (CID 90960091) is 2-(oxan-4-ylmethyl)-1H-imidazole.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-1H-imidazole?
The canonical SMILES for 2-(oxan-4-ylmethyl)-1H-imidazole is c1c[nH]c(CC2CCOCC2)n1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-1H-imidazole?
The InChIKey is RMJFTGLCKCCNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-12-6-2-8(1)7-9-10-3-4-11-9/h3-4,8H,1-2,5-7H2,(H,10,11).
What are the key properties of 2-(oxan-4-ylmethyl)-1H-imidazole?
2-(oxan-4-ylmethyl)-1H-imidazole has a molecular weight of 166.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-1H-imidazole is sourced from PubChem (CID 90960091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).