1,4-dimethyl-3-octyl-2H-imidazole

C13H26N2 — CID 66679066

IUPAC1,4-dimethyl-3-octyl-2H-imidazole
SMILESCCCCCCCCN1CN(C)C=C1C
InChIInChI=1S/C13H26N2/c1-4-5-6-7-8-9-10-15-12-14(3)11-13(15)2/h11H,4-10,12H2,1-3H3
InChIKeyJVNKHQNLEURZFW-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.41
Rot. Bonds7

About 1,4-dimethyl-3-octyl-2H-imidazole

1,4-dimethyl-3-octyl-2H-imidazole (PubChem CID 66679066) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,4-dimethyl-3-octyl-2H-imidazole.

Molecular Properties

Compound Name1,4-dimethyl-3-octyl-2H-imidazole
PubChem CID66679066
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1,4-dimethyl-3-octyl-2H-imidazole
SMILESCCCCCCCCN1CN(C)C=C1C
InChIInChI=1S/C13H26N2/c1-4-5-6-7-8-9-10-15-12-14(3)11-13(15)2/h11H,4-10,12H2,1-3H3
InChIKeyJVNKHQNLEURZFW-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.41
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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Related Compounds

1-Octyl-3-methyl imidazole
CID 21321822
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-Decyl-3-methylimidazole
CID 18513308
1,2-Dimethyl-3 decylimidazole
CID 21567448
1-octyl-3-propyl-2H-imidazole
CID 23148549
1-Allyl-3-octylimidazole
CID 23154616
1-ethenyl-3-octyl-2H-imidazole
CID 117890583
1-Decyl-2,3-dimethylimidazole hydrobromide
CID 141760895
1-decyl-3-ethyl-2H-imidazole
CID 19864130
1,2-dimethyl-3-octyl-2H-imidazole
CID 21321802
1-ethyl-3-octyl-2H-imidazole
CID 21321806
1,4,5-trimethyl-3-octyl-2H-imidazole
CID 21321827

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-octyl-2H-imidazole?
The IUPAC name of 1,4-dimethyl-3-octyl-2H-imidazole (CID 66679066) is 1,4-dimethyl-3-octyl-2H-imidazole.
What is the SMILES notation for 1,4-dimethyl-3-octyl-2H-imidazole?
The canonical SMILES for 1,4-dimethyl-3-octyl-2H-imidazole is CCCCCCCCN1CN(C)C=C1C.
What is the InChIKey of 1,4-dimethyl-3-octyl-2H-imidazole?
The InChIKey is JVNKHQNLEURZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-6-7-8-9-10-15-12-14(3)11-13(15)2/h11H,4-10,12H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-octyl-2H-imidazole?
1,4-dimethyl-3-octyl-2H-imidazole has a molecular weight of 210.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-octyl-2H-imidazole is sourced from PubChem (CID 66679066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).