1-butyl-2,4-dimethyl-1H-imidazol-1-ium

C9H17N2+ — CID 154222841

IUPAC1-butyl-2,4-dimethyl-1H-imidazol-1-ium
SMILESCCCC[NH+]1C=C(C)N=C1C
InChIInChI=1S/C9H16N2/c1-4-5-6-11-7-8(2)10-9(11)3/h7H,4-6H2,1-3H3/p+1
InChIKeyKDZMZTIERFXHBN-UHFFFAOYSA-O
MW153.25 g/mol
LogP0.96
Rot. Bonds3

About 1-butyl-2,4-dimethyl-1H-imidazol-1-ium

1-butyl-2,4-dimethyl-1H-imidazol-1-ium (PubChem CID 154222841) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-butyl-2,4-dimethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-butyl-2,4-dimethyl-1H-imidazol-1-ium
PubChem CID154222841
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name1-butyl-2,4-dimethyl-1H-imidazol-1-ium
SMILESCCCC[NH+]1C=C(C)N=C1C
InChIInChI=1S/C9H16N2/c1-4-5-6-11-7-8(2)10-9(11)3/h7H,4-6H2,1-3H3/p+1
InChIKeyKDZMZTIERFXHBN-UHFFFAOYSA-O
XLogP0.96
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethyl-4-methyl-1H-imidazol-1-ium-1-yl)propanenitrile
CID 21549849
2-ethyl-4-methyl-1H-imidazol-1-ium
CID 21549851
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
1-butyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955234
1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide
CID 66987741
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
CID 87653770
1-Butyl-1,2,4-trimethylimidazol-1-ium
CID 122699323
N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
CID 134268440
4-methyl-N-prop-1-en-2-yl-3,5,6,7-tetrahydro-2H-1,4-diazocin-8-amine
CID 137511059

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,4-dimethyl-1H-imidazol-1-ium?
The IUPAC name of 1-butyl-2,4-dimethyl-1H-imidazol-1-ium (CID 154222841) is 1-butyl-2,4-dimethyl-1H-imidazol-1-ium.
What is the SMILES notation for 1-butyl-2,4-dimethyl-1H-imidazol-1-ium?
The canonical SMILES for 1-butyl-2,4-dimethyl-1H-imidazol-1-ium is CCCC[NH+]1C=C(C)N=C1C.
What is the InChIKey of 1-butyl-2,4-dimethyl-1H-imidazol-1-ium?
The InChIKey is KDZMZTIERFXHBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-11-7-8(2)10-9(11)3/h7H,4-6H2,1-3H3/p+1.
What are the key properties of 1-butyl-2,4-dimethyl-1H-imidazol-1-ium?
1-butyl-2,4-dimethyl-1H-imidazol-1-ium has a molecular weight of 153.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,4-dimethyl-1H-imidazol-1-ium is sourced from PubChem (CID 154222841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).