2-octyl-4,5-dihydro-1H-imidazole

C11H22N2 — CID 25285

IUPAC2-octyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCC1=NCCN1
InChIInChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3,(H,12,13)
InChIKeyRPEKHMWFNMGIHP-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.74
Rot. Bonds7

About 2-octyl-4,5-dihydro-1H-imidazole

2-octyl-4,5-dihydro-1H-imidazole (PubChem CID 25285) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-octyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-octyl-4,5-dihydro-1H-imidazole
PubChem CID25285
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-octyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCC1=NCCN1
InChIInChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3,(H,12,13)
InChIKeyRPEKHMWFNMGIHP-UHFFFAOYSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-octyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-octyl-4,5-dihydro-1H-imidazole (CID 25285) is 2-octyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-octyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-octyl-4,5-dihydro-1H-imidazole is CCCCCCCCC1=NCCN1.
What is the InChIKey of 2-octyl-4,5-dihydro-1H-imidazole?
The InChIKey is RPEKHMWFNMGIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3,(H,12,13).
What are the key properties of 2-octyl-4,5-dihydro-1H-imidazole?
2-octyl-4,5-dihydro-1H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 25285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).