1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride

C12H25ClN2 — CID 175222160

IUPAC1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride
SMILESCCCCC(CC)C[NH+]1C=CN(C)C1.[Cl-]
InChIInChI=1S/C12H24N2.ClH/c1-4-6-7-12(5-2)10-14-9-8-13(3)11-14;/h8-9,12H,4-7,10-11H2,1-3H3;1H
InChIKeyIOROGNQISPBPDC-UHFFFAOYSA-N
MW232.80 g/mol
LogP-1.53
Rot. Bonds6

About 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride

1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride (PubChem CID 175222160) has the molecular formula C12H25ClN2 and a molecular weight of 232.80 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride
PubChem CID175222160
Molecular FormulaC12H25ClN2
Molecular Weight232.80 g/mol
Exact Mass232.17
IUPAC Name1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride
SMILESCCCCC(CC)C[NH+]1C=CN(C)C1.[Cl-]
InChIInChI=1S/C12H24N2.ClH/c1-4-6-7-12(5-2)10-14-9-8-13(3)11-14;/h8-9,12H,4-7,10-11H2,1-3H3;1H
InChIKeyIOROGNQISPBPDC-UHFFFAOYSA-N
XLogP-1.53
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Imidazolium, 1-hexyl-3-methyl-, chloride
CID 67523375
3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine
CID 21486750
3-Methyl-1-octyl-1,2-dihydroimidazol-1-ium
CID 57801170
3-(Cyclopentylmethyl)-1,2-dihydroimidazole
CID 59091162
1-Methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride
CID 67523359
1-Methyl-3-octyl-1,2-dihydroimidazol-1-ium chloride
CID 67523379
1-Decyl-3-methyl-1,2-dihydroimidazol-1-ium chloride
CID 67523399
1H-Imidazolium, 1-heptyl-3-methyl-, chloride
CID 67523476
1-Heptyl-3-methyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71361024
1-(2-ethylhexyl)-3-methyl-2H-imidazole
CID 85966754
1-methyl-3-(4-methylhexyl)-2H-imidazole
CID 89192629
3-(4-Methylhexyl)-1,2-dihydroimidazole
CID 90687471

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride?
The IUPAC name of 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride (CID 175222160) is 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride is CCCCC(CC)C[NH+]1C=CN(C)C1.[Cl-].
What is the InChIKey of 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride?
The InChIKey is IOROGNQISPBPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.ClH/c1-4-6-7-12(5-2)10-14-9-8-13(3)11-14;/h8-9,12H,4-7,10-11H2,1-3H3;1H.
What are the key properties of 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride?
1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride has a molecular weight of 232.80 g/mol, XLogP of -1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-methyl-1,2-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 175222160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).