4-butyl-1-methyl-1H-imidazol-1-ium

C8H15N2+ — CID 152749548

IUPAC4-butyl-1-methyl-1H-imidazol-1-ium
SMILESCCCCC1=C[NH+](C)C=N1
InChIInChI=1S/C8H14N2/c1-3-4-5-8-6-10(2)7-9-8/h6-7H,3-5H2,1-2H3/p+1
InChIKeyCMXBEVNECSXMEN-UHFFFAOYSA-O
MW139.22 g/mol
LogP0.57
Rot. Bonds3

About 4-butyl-1-methyl-1H-imidazol-1-ium

4-butyl-1-methyl-1H-imidazol-1-ium (PubChem CID 152749548) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 4-butyl-1-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name4-butyl-1-methyl-1H-imidazol-1-ium
PubChem CID152749548
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name4-butyl-1-methyl-1H-imidazol-1-ium
SMILESCCCCC1=C[NH+](C)C=N1
InChIInChI=1S/C8H14N2/c1-3-4-5-8-6-10(2)7-9-8/h6-7H,3-5H2,1-2H3/p+1
InChIKeyCMXBEVNECSXMEN-UHFFFAOYSA-O
XLogP0.57
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 21705671
[(2S)-1-(1-methyl-1H-imidazol-1-ium-4-yl)propan-2-yl]azanium
CID 60105785
4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 87292115
N-(4-ethyl-4,5-dihydro-1H-1,3-diazepin-6-yl)methanimine
CID 90809355
4-hexyl-1-methyl-1H-imidazol-1-ium bromide
CID 118093699
1-butyl-4-hexyl-1H-imidazol-1-ium bromide
CID 118093706
4-butyl-1,2-dimethyl-1H-imidazol-1-ium
CID 154065056
1,4-dibutyl-1H-imidazol-1-ium
CID 154128738

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methyl-1H-imidazol-1-ium?
The IUPAC name of 4-butyl-1-methyl-1H-imidazol-1-ium (CID 152749548) is 4-butyl-1-methyl-1H-imidazol-1-ium.
What is the SMILES notation for 4-butyl-1-methyl-1H-imidazol-1-ium?
The canonical SMILES for 4-butyl-1-methyl-1H-imidazol-1-ium is CCCCC1=C[NH+](C)C=N1.
What is the InChIKey of 4-butyl-1-methyl-1H-imidazol-1-ium?
The InChIKey is CMXBEVNECSXMEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-8-6-10(2)7-9-8/h6-7H,3-5H2,1-2H3/p+1.
What are the key properties of 4-butyl-1-methyl-1H-imidazol-1-ium?
4-butyl-1-methyl-1H-imidazol-1-ium has a molecular weight of 139.22 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 152749548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).