1-(2-cyclohex-3-en-1-ylethyl)imidazole

C11H16N2 — CID 20550242

IUPAC1-(2-cyclohex-3-en-1-ylethyl)imidazole
SMILESC1=CCC(CCn2ccnc2)CC1
InChIInChI=1S/C11H16N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-2,7,9-11H,3-6,8H2
InChIKeyHNILZHSWGPBEHZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-cyclohex-3-en-1-ylethyl)imidazole

1-(2-cyclohex-3-en-1-ylethyl)imidazole (PubChem CID 20550242) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(2-cyclohex-3-en-1-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-cyclohex-3-en-1-ylethyl)imidazole
PubChem CID20550242
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(2-cyclohex-3-en-1-ylethyl)imidazole
SMILESC1=CCC(CCn2ccnc2)CC1
InChIInChI=1S/C11H16N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-2,7,9-11H,3-6,8H2
InChIKeyHNILZHSWGPBEHZ-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-cyclohex-3-en-1-ylethyl)imidazole?
The IUPAC name of 1-(2-cyclohex-3-en-1-ylethyl)imidazole (CID 20550242) is 1-(2-cyclohex-3-en-1-ylethyl)imidazole.
What is the SMILES notation for 1-(2-cyclohex-3-en-1-ylethyl)imidazole?
The canonical SMILES for 1-(2-cyclohex-3-en-1-ylethyl)imidazole is C1=CCC(CCn2ccnc2)CC1.
What is the InChIKey of 1-(2-cyclohex-3-en-1-ylethyl)imidazole?
The InChIKey is HNILZHSWGPBEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-2,7,9-11H,3-6,8H2.
What are the key properties of 1-(2-cyclohex-3-en-1-ylethyl)imidazole?
1-(2-cyclohex-3-en-1-ylethyl)imidazole has a molecular weight of 176.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohex-3-en-1-ylethyl)imidazole is sourced from PubChem (CID 20550242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).