3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide

C9H17BrN2 — CID 174758217

IUPAC3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide
SMILESC=C[NH+]1C=CN(CCCC)C1.[Br-]
InChIInChI=1S/C9H16N2.BrH/c1-3-5-6-11-8-7-10(4-2)9-11;/h4,7-8H,2-3,5-6,9H2,1H3;1H
InChIKeyIYHLUGVVUPPBEJ-UHFFFAOYSA-N
MW233.15 g/mol
LogP-2.44
Rot. Bonds4

About 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide

3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide (PubChem CID 174758217) has the molecular formula C9H17BrN2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide.

Molecular Properties

Compound Name3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide
PubChem CID174758217
Molecular FormulaC9H17BrN2
Molecular Weight233.15 g/mol
Exact Mass232.06
IUPAC Name3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide
SMILESC=C[NH+]1C=CN(CCCC)C1.[Br-]
InChIInChI=1S/C9H16N2.BrH/c1-3-5-6-11-8-7-10(4-2)9-11;/h4,7-8H,2-3,5-6,9H2,1H3;1H
InChIKeyIYHLUGVVUPPBEJ-UHFFFAOYSA-N
XLogP-2.44
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide
CID 173111020
1-hexadecyl-3-propyl-1,2-dihydroimidazol-1-ium bromide
CID 71394755
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate
CID 174521316
1-pentyl-3-prop-2-enyl-2H-imidazole
CID 23154606
1-ethenyl-3-pentyl-2H-imidazole
CID 69347119
CID 174105864
CID 174105864
1-butyl-3-methyl-2H-imidazole
CID 10265934
3-butyl-1-methyl-1,2-dihydroimidazol-1-ium;dibutyl phosphate
CID 77134628
1-butyl-3-ethenyl-2H-imidazole;prop-2-enamide;hydrobromide
CID 175485148
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide?
The IUPAC name of 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide (CID 174758217) is 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide.
What is the SMILES notation for 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide?
The canonical SMILES for 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide is C=C[NH+]1C=CN(CCCC)C1.[Br-].
What is the InChIKey of 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide?
The InChIKey is IYHLUGVVUPPBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.BrH/c1-3-5-6-11-8-7-10(4-2)9-11;/h4,7-8H,2-3,5-6,9H2,1H3;1H.
What are the key properties of 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide?
3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide has a molecular weight of 233.15 g/mol, XLogP of -2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethenyl-1,2-dihydroimidazol-1-ium bromide is sourced from PubChem (CID 174758217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).