1-methyl-3-octyl-2H-imidazole

C12H24N2 — CID 21321822

IUPAC1-methyl-3-octyl-2H-imidazole
SMILESCCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C12H24N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-11H,3-9,12H2,1-2H3
InChIKeyKTUWFYALZIAAGE-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.02
Rot. Bonds7

About 1-methyl-3-octyl-2H-imidazole

1-methyl-3-octyl-2H-imidazole (PubChem CID 21321822) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-methyl-3-octyl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-octyl-2H-imidazole
PubChem CID21321822
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-methyl-3-octyl-2H-imidazole
SMILESCCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C12H24N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-11H,3-9,12H2,1-2H3
InChIKeyKTUWFYALZIAAGE-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
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 1-methyl-3-octyl-2H-imidazole?
The IUPAC name of 1-methyl-3-octyl-2H-imidazole (CID 21321822) is 1-methyl-3-octyl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-octyl-2H-imidazole?
The canonical SMILES for 1-methyl-3-octyl-2H-imidazole is CCCCCCCCN1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-octyl-2H-imidazole?
The InChIKey is KTUWFYALZIAAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-methyl-3-octyl-2H-imidazole?
1-methyl-3-octyl-2H-imidazole has a molecular weight of 196.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-octyl-2H-imidazole is sourced from PubChem (CID 21321822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).