1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole

C10H16N2 — CID 57212728

IUPAC1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole
SMILESC1=CC(CN2C=NCC2)CCC1
InChIInChI=1S/C10H16N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h2,4,9-10H,1,3,5-8H2
InChIKeyUYHXXHPUKYZEFZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.69
Rot. Bonds2

About 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole

1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole (PubChem CID 57212728) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole
PubChem CID57212728
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole
SMILESC1=CC(CN2C=NCC2)CCC1
InChIInChI=1S/C10H16N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h2,4,9-10H,1,3,5-8H2
InChIKeyUYHXXHPUKYZEFZ-UHFFFAOYSA-N
XLogP1.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.69
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-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole (CID 57212728) is 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole is C1=CC(CN2C=NCC2)CCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole?
The InChIKey is UYHXXHPUKYZEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h2,4,9-10H,1,3,5-8H2.
What are the key properties of 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole?
1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole has a molecular weight of 164.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-ylmethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 57212728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).