5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole

C11H18N2 — CID 66658868

IUPAC5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC1C=CC(CC2CN=CN2)CC1
InChIInChI=1S/C11H18N2/c1-9-2-4-10(5-3-9)6-11-7-12-8-13-11/h2,4,8-11H,3,5-7H2,1H3,(H,12,13)
InChIKeyNUSAPYFMYRZPJZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.98
Rot. Bonds2

About 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole

5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 66658868) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID66658868
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC1C=CC(CC2CN=CN2)CC1
InChIInChI=1S/C11H18N2/c1-9-2-4-10(5-3-9)6-11-7-12-8-13-11/h2,4,8-11H,3,5-7H2,1H3,(H,12,13)
InChIKeyNUSAPYFMYRZPJZ-UHFFFAOYSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole (CID 66658868) is 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole is CC1C=CC(CC2CN=CN2)CC1.
What is the InChIKey of 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is NUSAPYFMYRZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-2-4-10(5-3-9)6-11-7-12-8-13-11/h2,4,8-11H,3,5-7H2,1H3,(H,12,13).
What are the key properties of 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole?
5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 178.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 66658868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).