1-butyl-2-methyl-1H-imidazol-1-ium iodide

C8H15IN2 — CID 66955234

IUPAC1-butyl-2-methyl-1H-imidazol-1-ium iodide
SMILESCCCC[NH+]1C=CN=C1C.[I-]
InChIInChI=1S/C8H14N2.HI/c1-3-4-6-10-7-5-9-8(10)2;/h5,7H,3-4,6H2,1-2H3;1H
InChIKeyYRUOEPDZAQDNHR-UHFFFAOYSA-N
MW266.13 g/mol
LogP-2.42
Rot. Bonds3

About 1-butyl-2-methyl-1H-imidazol-1-ium iodide

1-butyl-2-methyl-1H-imidazol-1-ium iodide (PubChem CID 66955234) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 1-butyl-2-methyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-butyl-2-methyl-1H-imidazol-1-ium iodide
PubChem CID66955234
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name1-butyl-2-methyl-1H-imidazol-1-ium iodide
SMILESCCCC[NH+]1C=CN=C1C.[I-]
InChIInChI=1S/C8H14N2.HI/c1-3-4-6-10-7-5-9-8(10)2;/h5,7H,3-4,6H2,1-2H3;1H
InChIKeyYRUOEPDZAQDNHR-UHFFFAOYSA-N
XLogP-2.42
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
1-butyl-1H-imidazol-1-ium iodide
CID 21977611
1-pentyl-1H-imidazol-1-ium iodide
CID 21977612
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-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
2-ethyl-1-methyl-1H-imidazol-1-ium chloride
CID 66778723
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-1H-imidazol-1-ium iodide?
The IUPAC name of 1-butyl-2-methyl-1H-imidazol-1-ium iodide (CID 66955234) is 1-butyl-2-methyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-butyl-2-methyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-butyl-2-methyl-1H-imidazol-1-ium iodide is CCCC[NH+]1C=CN=C1C.[I-].
What is the InChIKey of 1-butyl-2-methyl-1H-imidazol-1-ium iodide?
The InChIKey is YRUOEPDZAQDNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.HI/c1-3-4-6-10-7-5-9-8(10)2;/h5,7H,3-4,6H2,1-2H3;1H.
What are the key properties of 1-butyl-2-methyl-1H-imidazol-1-ium iodide?
1-butyl-2-methyl-1H-imidazol-1-ium iodide has a molecular weight of 266.13 g/mol, XLogP of -2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 66955234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).