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

C9H17N2+ — CID 154065056

IUPAC4-butyl-1,2-dimethyl-1H-imidazol-1-ium
SMILESCCCCC1=C[NH+](C)C(C)=N1
InChIInChI=1S/C9H16N2/c1-4-5-6-9-7-11(3)8(2)10-9/h7H,4-6H2,1-3H3/p+1
InChIKeySUBVGNRMHBPVTI-UHFFFAOYSA-O
MW153.25 g/mol
LogP0.96
Rot. Bonds3

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

4-butyl-1,2-dimethyl-1H-imidazol-1-ium (PubChem CID 154065056) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-butyl-1,2-dimethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name4-butyl-1,2-dimethyl-1H-imidazol-1-ium
PubChem CID154065056
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name4-butyl-1,2-dimethyl-1H-imidazol-1-ium
SMILESCCCCC1=C[NH+](C)C(C)=N1
InChIInChI=1S/C9H16N2/c1-4-5-6-9-7-11(3)8(2)10-9/h7H,4-6H2,1-3H3/p+1
InChIKeySUBVGNRMHBPVTI-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

4-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 21705671
1-hexyl-2,4-dimethyl-1H-imidazol-1-ium iodide
CID 66987741
4-hexadecyl-1,2-dimethyl-1H-imidazol-1-ium bromide
CID 68807986
4-butyl-2-methyl-1H-imidazol-1-ium;phosphane;chloride
CID 88232948
4-hexyl-1-methyl-1H-imidazol-1-ium bromide
CID 118093699
N-pentyl-1,3-dihydropyrrol-2-imine
CID 136470177
4-hexyl-1,2-dimethyl-1H-imidazol-1-ium
CID 148547557
4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium
CID 148919357
4-butyl-1-methyl-1H-imidazol-1-ium
CID 152749548
4-ethyl-1,2-dimethyl-1H-imidazol-1-ium
CID 154104252
1,4-dibutyl-1H-imidazol-1-ium
CID 154128738
1-hexyl-2,4-dimethyl-1H-imidazol-1-ium
CID 154128990

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2-dimethyl-1H-imidazol-1-ium?
The IUPAC name of 4-butyl-1,2-dimethyl-1H-imidazol-1-ium (CID 154065056) is 4-butyl-1,2-dimethyl-1H-imidazol-1-ium.
What is the SMILES notation for 4-butyl-1,2-dimethyl-1H-imidazol-1-ium?
The canonical SMILES for 4-butyl-1,2-dimethyl-1H-imidazol-1-ium is CCCCC1=C[NH+](C)C(C)=N1.
What is the InChIKey of 4-butyl-1,2-dimethyl-1H-imidazol-1-ium?
The InChIKey is SUBVGNRMHBPVTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-9-7-11(3)8(2)10-9/h7H,4-6H2,1-3H3/p+1.
What are the key properties of 4-butyl-1,2-dimethyl-1H-imidazol-1-ium?
4-butyl-1,2-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 4-butyl-1,2-dimethyl-1H-imidazol-1-ium is sourced from PubChem (CID 154065056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).