1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole

C14H20N2O — CID 155911100

IUPAC1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole
SMILESC1=CC(n2ccnc2C2CCOCC2)CCC1
InChIInChI=1S/C14H20N2O/c1-2-4-13(5-3-1)16-9-8-15-14(16)12-6-10-17-11-7-12/h2,4,8-9,12-13H,1,3,5-7,10-11H2
InChIKeyRWGPIMIJHYSAPX-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.06
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole

1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole (PubChem CID 155911100) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole
PubChem CID155911100
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole
SMILESC1=CC(n2ccnc2C2CCOCC2)CCC1
InChIInChI=1S/C14H20N2O/c1-2-4-13(5-3-1)16-9-8-15-14(16)12-6-10-17-11-7-12/h2,4,8-9,12-13H,1,3,5-7,10-11H2
InChIKeyRWGPIMIJHYSAPX-UHFFFAOYSA-N
XLogP3.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole?
The IUPAC name of 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole (CID 155911100) is 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole?
The canonical SMILES for 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole is C1=CC(n2ccnc2C2CCOCC2)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole?
The InChIKey is RWGPIMIJHYSAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-4-13(5-3-1)16-9-8-15-14(16)12-6-10-17-11-7-12/h2,4,8-9,12-13H,1,3,5-7,10-11H2.
What are the key properties of 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole?
1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole has a molecular weight of 232.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-2-(oxan-4-yl)imidazole is sourced from PubChem (CID 155911100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).