1,2-dibutyl-1H-imidazol-1-ium

C11H21N2+ — CID 148246319

IUPAC1,2-dibutyl-1H-imidazol-1-ium
SMILESCCCCC1=NC=C[NH+]1CCCC
InChIInChI=1S/C11H20N2/c1-3-5-7-11-12-8-10-13(11)9-6-4-2/h8,10H,3-7,9H2,1-2H3/p+1
InChIKeyRFSQQYNXESPSTN-UHFFFAOYSA-O
MW181.30 g/mol
LogP2.20
Rot. Bonds6

About 1,2-dibutyl-1H-imidazol-1-ium

1,2-dibutyl-1H-imidazol-1-ium (PubChem CID 148246319) has the molecular formula C11H21N2+ and a molecular weight of 181.30 g/mol. Its IUPAC name is 1,2-dibutyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1,2-dibutyl-1H-imidazol-1-ium
PubChem CID148246319
Molecular FormulaC11H21N2+
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Name1,2-dibutyl-1H-imidazol-1-ium
SMILESCCCCC1=NC=C[NH+]1CCCC
InChIInChI=1S/C11H20N2/c1-3-5-7-11-12-8-10-13(11)9-6-4-2/h8,10H,3-7,9H2,1-2H3/p+1
InChIKeyRFSQQYNXESPSTN-UHFFFAOYSA-O
XLogP2.20
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-pentyl-1H-imidazol-1-ium
CID 22342452
2-methyl-1-octyl-1H-imidazol-1-ium chloride
CID 66602370
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-butyl-1-methyl-1H-imidazol-1-ium bromide
CID 66620666
2-hexyl-1-methyl-1H-imidazol-1-ium iodide
CID 66652284
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
2-methyl-1-propyl-1H-imidazol-1-ium iodide
CID 66825902
3-(1-methyl-1H-imidazol-1-ium-2-yl)propan-1-amine bromide
CID 66882482
2-butyl-1-methyl-1H-imidazol-1-ium hydroxide
CID 66932678
1-methyl-2-propyl-1H-imidazol-1-ium iodide
CID 66955139
1-butyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955234

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-1H-imidazol-1-ium?
The IUPAC name of 1,2-dibutyl-1H-imidazol-1-ium (CID 148246319) is 1,2-dibutyl-1H-imidazol-1-ium.
What is the SMILES notation for 1,2-dibutyl-1H-imidazol-1-ium?
The canonical SMILES for 1,2-dibutyl-1H-imidazol-1-ium is CCCCC1=NC=C[NH+]1CCCC.
What is the InChIKey of 1,2-dibutyl-1H-imidazol-1-ium?
The InChIKey is RFSQQYNXESPSTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-11-12-8-10-13(11)9-6-4-2/h8,10H,3-7,9H2,1-2H3/p+1.
What are the key properties of 1,2-dibutyl-1H-imidazol-1-ium?
1,2-dibutyl-1H-imidazol-1-ium has a molecular weight of 181.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-1H-imidazol-1-ium is sourced from PubChem (CID 148246319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).