1-hexyl-2,5-dimethylimidazole

C11H20N2 — CID 26794148

IUPAC1-hexyl-2,5-dimethylimidazole
SMILESCCCCCCn1c(C)cnc1C
InChIInChI=1S/C11H20N2/c1-4-5-6-7-8-13-10(2)9-12-11(13)3/h9H,4-8H2,1-3H3
InChIKeyXIVQXOCASHEHRQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.08
Rot. Bonds5

About 1-hexyl-2,5-dimethylimidazole

1-hexyl-2,5-dimethylimidazole (PubChem CID 26794148) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-hexyl-2,5-dimethylimidazole.

Molecular Properties

Compound Name1-hexyl-2,5-dimethylimidazole
PubChem CID26794148
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-hexyl-2,5-dimethylimidazole
SMILESCCCCCCn1c(C)cnc1C
InChIInChI=1S/C11H20N2/c1-4-5-6-7-8-13-10(2)9-12-11(13)3/h9H,4-8H2,1-3H3
InChIKeyXIVQXOCASHEHRQ-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.08
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-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole
CID 20669177
5-butyl-1-hexadecyl-2-methylimidazole
CID 158644637
(3-hexyl-2-methylimidazol-4-yl)methanamine
CID 65172812
(3-dodecyl-2-methylimidazol-4-yl)methanamine
CID 65173229
3-dodecyl-2-methylimidazole-4-carboxylic acid
CID 65173160
N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
CID 65173232
1-butyl-5-chloro-2-methylimidazole
CID 123569144
2-[3-(2,5-dimethylimidazol-1-yl)propoxy]acetic acid;hydrochloride
CID 19766439
N-[(3-butyl-2-methylimidazol-4-yl)methyl]ethanamine
CID 65172409
2-fluoro-5-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378039
3-decyl-2,6-dimethylpyrimidin-4-one
CID 175080397
2-methyl-1-octylimidazole;hydrate
CID 174602652

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2,5-dimethylimidazole?
The IUPAC name of 1-hexyl-2,5-dimethylimidazole (CID 26794148) is 1-hexyl-2,5-dimethylimidazole.
What is the SMILES notation for 1-hexyl-2,5-dimethylimidazole?
The canonical SMILES for 1-hexyl-2,5-dimethylimidazole is CCCCCCn1c(C)cnc1C.
What is the InChIKey of 1-hexyl-2,5-dimethylimidazole?
The InChIKey is XIVQXOCASHEHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-6-7-8-13-10(2)9-12-11(13)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-hexyl-2,5-dimethylimidazole?
1-hexyl-2,5-dimethylimidazole has a molecular weight of 180.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,5-dimethylimidazole is sourced from PubChem (CID 26794148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).