1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole

C12H18N2 — CID 20550252

IUPAC1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole
SMILESC1=C\C(Cn2ccnc2)CCCCC/1
InChIInChI=1S/C12H18N2/c1-2-4-6-12(7-5-3-1)10-14-9-8-13-11-14/h4,6,8-9,11-12H,1-3,5,7,10H2/b6-4-
InChIKeyXKZQTHJLQNVSRX-XQRVVYSFSA-N
MW190.29 g/mol
LogP3.02
Rot. Bonds2

About 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole

1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole (PubChem CID 20550252) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole
PubChem CID20550252
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole
SMILESC1=C\C(Cn2ccnc2)CCCCC/1
InChIInChI=1S/C12H18N2/c1-2-4-6-12(7-5-3-1)10-14-9-8-13-11-14/h4,6,8-9,11-12H,1-3,5,7,10H2/b6-4-
InChIKeyXKZQTHJLQNVSRX-XQRVVYSFSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.02
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-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole?
The IUPAC name of 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole (CID 20550252) is 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole.
What is the SMILES notation for 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole?
The canonical SMILES for 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole is C1=C\C(Cn2ccnc2)CCCCC/1.
What is the InChIKey of 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole?
The InChIKey is XKZQTHJLQNVSRX-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-4-6-12(7-5-3-1)10-14-9-8-13-11-14/h4,6,8-9,11-12H,1-3,5,7,10H2/b6-4-.
What are the key properties of 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole?
1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole has a molecular weight of 190.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2Z)-cyclooct-2-en-1-yl]methyl]imidazole is sourced from PubChem (CID 20550252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).