3-octyl-1,2-dihydroimidazole

C11H22N2 — CID 19864128

IUPAC3-octyl-1,2-dihydroimidazole
SMILESCCCCCCCCN1C=CNC1
InChIInChI=1S/C11H22N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h8,10,12H,2-7,9,11H2,1H3
InChIKeySQHUOAYMJDQZJA-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.68
Rot. Bonds7

About 3-octyl-1,2-dihydroimidazole

3-octyl-1,2-dihydroimidazole (PubChem CID 19864128) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-octyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-octyl-1,2-dihydroimidazole
PubChem CID19864128
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-octyl-1,2-dihydroimidazole
SMILESCCCCCCCCN1C=CNC1
InChIInChI=1S/C11H22N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h8,10,12H,2-7,9,11H2,1H3
InChIKeySQHUOAYMJDQZJA-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 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 ≤ 52.68
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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Related Compounds

1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Decyl-3H-imidazole-2-thione
CID 5244461
3-dodecyl-1H-imidazole-2-thione
CID 11277202
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-methyl-3-octadecyl-2H-imidazole
CID 18183998
1-Decyl-3-methylimidazole
CID 18513308
1-Hexadecyl-3-methylimidazole
CID 18513310
1-Dodecyl-3-methylimidazole
CID 18513314
1-ethenyl-3-octadecyl-2H-imidazole
CID 18679097

Frequently Asked Questions

What is the IUPAC name of 3-octyl-1,2-dihydroimidazole?
The IUPAC name of 3-octyl-1,2-dihydroimidazole (CID 19864128) is 3-octyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-octyl-1,2-dihydroimidazole?
The canonical SMILES for 3-octyl-1,2-dihydroimidazole is CCCCCCCCN1C=CNC1.
What is the InChIKey of 3-octyl-1,2-dihydroimidazole?
The InChIKey is SQHUOAYMJDQZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h8,10,12H,2-7,9,11H2,1H3.
What are the key properties of 3-octyl-1,2-dihydroimidazole?
3-octyl-1,2-dihydroimidazole has a molecular weight of 182.31 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octyl-1,2-dihydroimidazole is sourced from PubChem (CID 19864128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).