1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium

C16H30N4+2 — CID 158211376

IUPAC1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium
SMILESCCc1c[n+](C)cn1CC.CCn1cc[n+](CC)c1C
InChIInChI=1S/2C8H15N2/c1-4-8-6-9(3)7-10(8)5-2;1-4-9-6-7-10(5-2)8(9)3/h2*6-7H,4-5H2,1-3H3/q2*+1
InChIKeyGCCRQPMAXJKWPZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.02
Rot. Bonds4

About 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium

1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium (PubChem CID 158211376) has the molecular formula C16H30N4+2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium.

Molecular Properties

Compound Name1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium
PubChem CID158211376
Molecular FormulaC16H30N4+2
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium
SMILESCCc1c[n+](C)cn1CC.CCn1cc[n+](CC)c1C
InChIInChI=1S/2C8H15N2/c1-4-8-6-9(3)7-10(8)5-2;1-4-9-6-7-10(5-2)8(9)3/h2*6-7H,4-5H2,1-3H3/q2*+1
InChIKeyGCCRQPMAXJKWPZ-UHFFFAOYSA-N
XLogP2.02
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3,4-triethylimidazol-1-ium
CID 87115083
1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)
CID 160599976
(1,3-diethylimidazol-1-ium-2-yl) ethanesulfonate
CID 123790003
1,3-diethyl-2-pentylimidazol-1-ium
CID 87808411
1-butyl-3-dodecyl-2-methylimidazol-3-ium
CID 87805298
1-butyl-2-methyl-3-pentadecylimidazol-3-ium
CID 87809259
1,2-diethyl-3-pentadecylimidazol-3-ium
CID 87806974
1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;4-ethyl-1,2,3-trimethylimidazol-1-ium;methane;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium
CID 161345766
2-[3-(2-aminoethyl)-2-methylimidazol-3-ium-1-yl]ethanamine bromide
CID 141290296
bis(2-methyl-1,3-dipropylimidazol-1-ium);sulfate
CID 86654827
1-ethyl-3-[(2-fluoro-6-methylphenyl)methyl]-2-methylimidazol-3-ium
CID 174270174
1-ethyl-2,3-dimethylimidazol-3-ium;ethyl hydrogen sulfate;hydrate
CID 160570305

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium?
The IUPAC name of 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium (CID 158211376) is 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium.
What is the SMILES notation for 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium?
The canonical SMILES for 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium is CCc1c[n+](C)cn1CC.CCn1cc[n+](CC)c1C.
What is the InChIKey of 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium?
The InChIKey is GCCRQPMAXJKWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N2/c1-4-8-6-9(3)7-10(8)5-2;1-4-9-6-7-10(5-2)8(9)3/h2*6-7H,4-5H2,1-3H3/q2*+1.
What are the key properties of 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium?
1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium has a molecular weight of 278.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methylimidazol-1-ium;3,4-diethyl-1-methylimidazol-1-ium is sourced from PubChem (CID 158211376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).