2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole

C10H16N2 — CID 24839055

IUPAC2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=C(CC2=NCCN2)CCCC1
InChIInChI=1S/C10H16N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h4H,1-3,5-8H2,(H,11,12)
InChIKeyAESBUUXIAHKMRS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.88
Rot. Bonds2

About 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole

2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 24839055) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID24839055
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=C(CC2=NCCN2)CCCC1
InChIInChI=1S/C10H16N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h4H,1-3,5-8H2,(H,11,12)
InChIKeyAESBUUXIAHKMRS-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole (CID 24839055) is 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole is C1=C(CC2=NCCN2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is AESBUUXIAHKMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h4H,1-3,5-8H2,(H,11,12).
What are the key properties of 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 24839055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).