2,4-dibutyl-1-methyl-1H-imidazol-1-ium

C12H23N2+ — CID 158553687

IUPAC2,4-dibutyl-1-methyl-1H-imidazol-1-ium
SMILESCCCCC1=C[NH+](C)C(CCCC)=N1
InChIInChI=1S/C12H22N2/c1-4-6-8-11-10-14(3)12(13-11)9-7-5-2/h10H,4-9H2,1-3H3/p+1
InChIKeyHQAGREOQRDTNOE-UHFFFAOYSA-O
MW195.33 g/mol
LogP2.13
Rot. Bonds6

About 2,4-dibutyl-1-methyl-1H-imidazol-1-ium

2,4-dibutyl-1-methyl-1H-imidazol-1-ium (PubChem CID 158553687) has the molecular formula C12H23N2+ and a molecular weight of 195.33 g/mol. Its IUPAC name is 2,4-dibutyl-1-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name2,4-dibutyl-1-methyl-1H-imidazol-1-ium
PubChem CID158553687
Molecular FormulaC12H23N2+
Molecular Weight195.33 g/mol
Exact Mass195.19
IUPAC Name2,4-dibutyl-1-methyl-1H-imidazol-1-ium
SMILESCCCCC1=C[NH+](C)C(CCCC)=N1
InChIInChI=1S/C12H22N2/c1-4-6-8-11-10-14(3)12(13-11)9-7-5-2/h10H,4-9H2,1-3H3/p+1
InChIKeyHQAGREOQRDTNOE-UHFFFAOYSA-O
XLogP2.13
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.13
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
N-pentyl-1,3-dihydropyrrol-2-imine
CID 136470177
N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine
CID 142925659
4-hexyl-1,2-dimethyl-1H-imidazol-1-ium
CID 148547557
4-butyl-1,2-dimethyl-1H-imidazol-1-ium
CID 154065056
1,4-dibutyl-1H-imidazol-1-ium
CID 154128738
1-hexyl-2,4-dimethyl-1H-imidazol-1-ium
CID 154128990
1-butyl-2,4-dimethyl-1H-imidazol-1-ium
CID 154222841
iodanium 4-hexyl-1,2-dimethyl-1H-imidazol-1-ium
CID 160724520

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-1-methyl-1H-imidazol-1-ium?
The IUPAC name of 2,4-dibutyl-1-methyl-1H-imidazol-1-ium (CID 158553687) is 2,4-dibutyl-1-methyl-1H-imidazol-1-ium.
What is the SMILES notation for 2,4-dibutyl-1-methyl-1H-imidazol-1-ium?
The canonical SMILES for 2,4-dibutyl-1-methyl-1H-imidazol-1-ium is CCCCC1=C[NH+](C)C(CCCC)=N1.
What is the InChIKey of 2,4-dibutyl-1-methyl-1H-imidazol-1-ium?
The InChIKey is HQAGREOQRDTNOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N2/c1-4-6-8-11-10-14(3)12(13-11)9-7-5-2/h10H,4-9H2,1-3H3/p+1.
What are the key properties of 2,4-dibutyl-1-methyl-1H-imidazol-1-ium?
2,4-dibutyl-1-methyl-1H-imidazol-1-ium has a molecular weight of 195.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-1-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 158553687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).