5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole

C12H18N2 — CID 118055412

IUPAC5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
SMILESCCC1=CCCC(Cc2cnc[nH]2)C1
InChIInChI=1S/C12H18N2/c1-2-10-4-3-5-11(6-10)7-12-8-13-9-14-12/h4,8-9,11H,2-3,5-7H2,1H3,(H,13,14)
InChIKeyVMXYNPCTBIUBIJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.09
Rot. Bonds3

About 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole

5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole (PubChem CID 118055412) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
PubChem CID118055412
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
SMILESCCC1=CCCC(Cc2cnc[nH]2)C1
InChIInChI=1S/C12H18N2/c1-2-10-4-3-5-11(6-10)7-12-8-13-9-14-12/h4,8-9,11H,2-3,5-7H2,1H3,(H,13,14)
InChIKeyVMXYNPCTBIUBIJ-UHFFFAOYSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole (CID 118055412) is 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole is CCC1=CCCC(Cc2cnc[nH]2)C1.
What is the InChIKey of 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole?
The InChIKey is VMXYNPCTBIUBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-10-4-3-5-11(6-10)7-12-8-13-9-14-12/h4,8-9,11H,2-3,5-7H2,1H3,(H,13,14).
What are the key properties of 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole?
5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole has a molecular weight of 190.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole is sourced from PubChem (CID 118055412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).