1-(cyclohept-2-en-1-ylmethyl)imidazole

C11H16N2 — CID 20550239

IUPAC1-(cyclohept-2-en-1-ylmethyl)imidazole
SMILESC1=CC(Cn2ccnc2)CCCC1
InChIInChI=1S/C11H16N2/c1-2-4-6-11(5-3-1)9-13-8-7-12-10-13/h3,5,7-8,10-11H,1-2,4,6,9H2
InChIKeyHBXAFXFARBQWFC-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.63
Rot. Bonds2

About 1-(cyclohept-2-en-1-ylmethyl)imidazole

1-(cyclohept-2-en-1-ylmethyl)imidazole (PubChem CID 20550239) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(cyclohept-2-en-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(cyclohept-2-en-1-ylmethyl)imidazole
PubChem CID20550239
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(cyclohept-2-en-1-ylmethyl)imidazole
SMILESC1=CC(Cn2ccnc2)CCCC1
InChIInChI=1S/C11H16N2/c1-2-4-6-11(5-3-1)9-13-8-7-12-10-13/h3,5,7-8,10-11H,1-2,4,6,9H2
InChIKeyHBXAFXFARBQWFC-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-(cyclohept-2-en-1-ylmethyl)imidazole?
The IUPAC name of 1-(cyclohept-2-en-1-ylmethyl)imidazole (CID 20550239) is 1-(cyclohept-2-en-1-ylmethyl)imidazole.
What is the SMILES notation for 1-(cyclohept-2-en-1-ylmethyl)imidazole?
The canonical SMILES for 1-(cyclohept-2-en-1-ylmethyl)imidazole is C1=CC(Cn2ccnc2)CCCC1.
What is the InChIKey of 1-(cyclohept-2-en-1-ylmethyl)imidazole?
The InChIKey is HBXAFXFARBQWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-4-6-11(5-3-1)9-13-8-7-12-10-13/h3,5,7-8,10-11H,1-2,4,6,9H2.
What are the key properties of 1-(cyclohept-2-en-1-ylmethyl)imidazole?
1-(cyclohept-2-en-1-ylmethyl)imidazole has a molecular weight of 176.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohept-2-en-1-ylmethyl)imidazole is sourced from PubChem (CID 20550239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).