5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole

C11H16N2 — CID 20711765

IUPAC5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole
SMILESCC1=CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C11H16N2/c1-9-2-4-10(5-3-9)6-11-7-12-8-13-11/h2,7-8,10H,3-6H2,1H3,(H,12,13)
InChIKeyCGSFVXKRNLQAPH-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.70
Rot. Bonds2

About 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole

5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole (PubChem CID 20711765) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole
PubChem CID20711765
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole
SMILESCC1=CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C11H16N2/c1-9-2-4-10(5-3-9)6-11-7-12-8-13-11/h2,7-8,10H,3-6H2,1H3,(H,12,13)
InChIKeyCGSFVXKRNLQAPH-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.70
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-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole (CID 20711765) is 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole is CC1=CCC(Cc2cnc[nH]2)CC1.
What is the InChIKey of 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole?
The InChIKey is CGSFVXKRNLQAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-2-4-10(5-3-9)6-11-7-12-8-13-11/h2,7-8,10H,3-6H2,1H3,(H,12,13).
What are the key properties of 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole?
5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole has a molecular weight of 176.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole is sourced from PubChem (CID 20711765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).