1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate

C8H17ClN2O4 — CID 71358151

IUPAC1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate
SMILESCCCC[NH+]1C=CN(C)C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H16N2.ClHO4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-7H,3-5,8H2,1-2H3;(H,2,3,4,5)
InChIKeyLXFQGCDISQVPSR-UHFFFAOYSA-N
MW240.69 g/mol
LogP-4.71
Rot. Bonds3

About 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate

1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate (PubChem CID 71358151) has the molecular formula C8H17ClN2O4 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate.

Molecular Properties

Compound Name1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate
PubChem CID71358151
Molecular FormulaC8H17ClN2O4
Molecular Weight240.69 g/mol
Exact Mass240.09
IUPAC Name1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate
SMILESCCCC[NH+]1C=CN(C)C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H16N2.ClHO4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-7H,3-5,8H2,1-2H3;(H,2,3,4,5)
InChIKeyLXFQGCDISQVPSR-UHFFFAOYSA-N
XLogP-4.71
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 5-4.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate?
The IUPAC name of 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate (CID 71358151) is 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate.
What is the SMILES notation for 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate?
The canonical SMILES for 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate is CCCC[NH+]1C=CN(C)C1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate?
The InChIKey is LXFQGCDISQVPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClHO4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-7H,3-5,8H2,1-2H3;(H,2,3,4,5).
What are the key properties of 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate?
1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate has a molecular weight of 240.69 g/mol, XLogP of -4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-1,2-dihydroimidazol-1-ium perchlorate is sourced from PubChem (CID 71358151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).