2-methyl-1-octylimidazole

C12H22N2 — CID 23105636

IUPAC2-methyl-1-octylimidazole
SMILESCCCCCCCCn1ccnc1C
InChIInChI=1S/C12H22N2/c1-3-4-5-6-7-8-10-14-11-9-13-12(14)2/h9,11H,3-8,10H2,1-2H3
InChIKeyOWOSSTCHCATHMM-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds7

About 2-methyl-1-octylimidazole

2-methyl-1-octylimidazole (PubChem CID 23105636) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-1-octylimidazole.

Molecular Properties

Compound Name2-methyl-1-octylimidazole
PubChem CID23105636
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-1-octylimidazole
SMILESCCCCCCCCn1ccnc1C
InChIInChI=1S/C12H22N2/c1-3-4-5-6-7-8-10-14-11-9-13-12(14)2/h9,11H,3-8,10H2,1-2H3
InChIKeyOWOSSTCHCATHMM-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.55
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 2-methyl-1-octylimidazole?
The IUPAC name of 2-methyl-1-octylimidazole (CID 23105636) is 2-methyl-1-octylimidazole.
What is the SMILES notation for 2-methyl-1-octylimidazole?
The canonical SMILES for 2-methyl-1-octylimidazole is CCCCCCCCn1ccnc1C.
What is the InChIKey of 2-methyl-1-octylimidazole?
The InChIKey is OWOSSTCHCATHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-4-5-6-7-8-10-14-11-9-13-12(14)2/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 2-methyl-1-octylimidazole?
2-methyl-1-octylimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-octylimidazole is sourced from PubChem (CID 23105636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).