2-(oxan-4-yl)-1-propan-2-ylimidazole

C11H18N2O — CID 58415699

IUPAC2-(oxan-4-yl)-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1C1CCOCC1
InChIInChI=1S/C11H18N2O/c1-9(2)13-6-5-12-11(13)10-3-7-14-8-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyJZFZPYYCPUSKAR-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.36
Rot. Bonds2

About 2-(oxan-4-yl)-1-propan-2-ylimidazole

2-(oxan-4-yl)-1-propan-2-ylimidazole (PubChem CID 58415699) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-propan-2-ylimidazole
PubChem CID58415699
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(oxan-4-yl)-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1C1CCOCC1
InChIInChI=1S/C11H18N2O/c1-9(2)13-6-5-12-11(13)10-3-7-14-8-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyJZFZPYYCPUSKAR-UHFFFAOYSA-N
XLogP2.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-propan-2-ylimidazole?
The IUPAC name of 2-(oxan-4-yl)-1-propan-2-ylimidazole (CID 58415699) is 2-(oxan-4-yl)-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(oxan-4-yl)-1-propan-2-ylimidazole?
The canonical SMILES for 2-(oxan-4-yl)-1-propan-2-ylimidazole is CC(C)n1ccnc1C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-propan-2-ylimidazole?
The InChIKey is JZFZPYYCPUSKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)13-6-5-12-11(13)10-3-7-14-8-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(oxan-4-yl)-1-propan-2-ylimidazole?
2-(oxan-4-yl)-1-propan-2-ylimidazole has a molecular weight of 194.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-propan-2-ylimidazole is sourced from PubChem (CID 58415699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).