5-(2-methyloctan-2-yl)-1H-imidazole

C12H22N2 — CID 137457027

IUPAC5-(2-methyloctan-2-yl)-1H-imidazole
SMILESCCCCCCC(C)(C)c1cnc[nH]1
InChIInChI=1S/C12H22N2/c1-4-5-6-7-8-12(2,3)11-9-13-10-14-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyZJXHRRZWVWSYMF-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.66
Rot. Bonds6

About 5-(2-methyloctan-2-yl)-1H-imidazole

5-(2-methyloctan-2-yl)-1H-imidazole (PubChem CID 137457027) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-(2-methyloctan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-methyloctan-2-yl)-1H-imidazole
PubChem CID137457027
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-(2-methyloctan-2-yl)-1H-imidazole
SMILESCCCCCCC(C)(C)c1cnc[nH]1
InChIInChI=1S/C12H22N2/c1-4-5-6-7-8-12(2,3)11-9-13-10-14-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyZJXHRRZWVWSYMF-UHFFFAOYSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
5-hexyl-1H-imidazole
CID 14225142
5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
CID 140580733
2-ethynyl-5-(2-methylheptan-2-yl)-1H-imidazole
CID 129132503
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
3-(2-methyloctan-2-yl)pyridine
CID 126558457
5-(2-methyl-2-propylhexyl)-1H-imidazole
CID 139423200
potassium;5-tert-butyl-1H-imidazole;carbanide;methane
CID 162271210
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
5-pentylsulfanyl-1H-imidazole
CID 19921749
N,N-dimethylbutan-1-amine;5-methyl-1H-imidazole
CID 144593891

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloctan-2-yl)-1H-imidazole?
The IUPAC name of 5-(2-methyloctan-2-yl)-1H-imidazole (CID 137457027) is 5-(2-methyloctan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(2-methyloctan-2-yl)-1H-imidazole?
The canonical SMILES for 5-(2-methyloctan-2-yl)-1H-imidazole is CCCCCCC(C)(C)c1cnc[nH]1.
What is the InChIKey of 5-(2-methyloctan-2-yl)-1H-imidazole?
The InChIKey is ZJXHRRZWVWSYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-6-7-8-12(2,3)11-9-13-10-14-11/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 5-(2-methyloctan-2-yl)-1H-imidazole?
5-(2-methyloctan-2-yl)-1H-imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloctan-2-yl)-1H-imidazole is sourced from PubChem (CID 137457027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).