5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole

C10H16N2 — CID 89257746

IUPAC5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=CCC(CC2CN=CN2)CC1
InChIInChI=1S/C10H16N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-2,8-10H,3-7H2,(H,11,12)
InChIKeyVNDVUWLWVBMWQF-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds2

About 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole

5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 89257746) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID89257746
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=CCC(CC2CN=CN2)CC1
InChIInChI=1S/C10H16N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-2,8-10H,3-7H2,(H,11,12)
InChIKeyVNDVUWLWVBMWQF-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.73
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-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole (CID 89257746) is 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole is C1=CCC(CC2CN=CN2)CC1.
What is the InChIKey of 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is VNDVUWLWVBMWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-2,8-10H,3-7H2,(H,11,12).
What are the key properties of 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole?
5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-3-en-1-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 89257746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).