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

C30H56N8+4 — CID 158156071

IUPAC1-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
SMILESCCc1c[n+](C)c(C)n1C.CCc1n(C)c(C)c[n+]1C.CCc1n(C)cc[n+]1C.CCn1cc[n+](C)c1C
InChIInChI=1S/2C8H15N2.2C7H13N2/c1-5-8-6-9(3)7(2)10(8)4;1-5-8-9(3)6-7(2)10(8)4;1-4-7-8(2)5-6-9(7)3;1-4-9-6-5-8(3)7(9)2/h2*6H,5H2,1-4H3;2*5-6H,4H2,1-3H3/q4*+1
InChIKeyFVRXOKCFWIBIKX-UHFFFAOYSA-N
MW528.83 g/mol
LogP2.49
Rot. Bonds4

About 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

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 (PubChem CID 158156071) has the molecular formula C30H56N8+4 and a molecular weight of 528.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158156071
Molecular FormulaC30H56N8+4
Molecular Weight528.83 g/mol
Exact Mass528.46
IUPAC Name1-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
SMILESCCc1c[n+](C)c(C)n1C.CCc1n(C)c(C)c[n+]1C.CCc1n(C)cc[n+]1C.CCn1cc[n+](C)c1C
InChIInChI=1S/2C8H15N2.2C7H13N2/c1-5-8-6-9(3)7(2)10(8)4;1-5-8-9(3)6-7(2)10(8)4;1-4-7-8(2)5-6-9(7)3;1-4-9-6-5-8(3)7(9)2/h2*6H,5H2,1-4H3;2*5-6H,4H2,1-3H3/q4*+1
InChIKeyFVRXOKCFWIBIKX-UHFFFAOYSA-N
XLogP2.49
TPSA35.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.83
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-Allyl-2-propyl-1-[3-(2-propylimidazol-1-yl)propyl]imidazole
CID 44139808
1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 70749427
Bis(1-butyl-3-methylimidazol-3-ium);bis(1-[1-butyl-3-methyl-2-(2,2,2-trifluoro-1-sulfidoethyl)imidazol-1-ium-4-yl]-2,2,2-trifluoroethanethiolate)
CID 157325099
1,5-Dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole
CID 160840771
Thallium(I) tetrakis(4-methylimidazolyl)borate
CID 139130339
dichloroplatinum(2+);N'-[5-(2,5-dimethylimidazol-1-yl)-3,3-bis[2-(2,5-dimethylimidazol-1-yl)ethyl]pentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 20669174
Dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)
CID 20669176
N,N'-bis[2-(2,5-dimethylimidazol-1-yl)ethyl]-N,N'-bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]butane-1,4-diamine
CID 20669180
2,4,6-Tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine
CID 67751874
1-Butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole
CID 69340332
CID 70094064
CID 70094064
3,4-diethyl-1,2-dimethyl-2H-imidazole;2,3,4-triethyl-1-methylimidazol-1-ium
CID 87581837

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158156071) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c[n+](C)c(C)n1C.CCc1n(C)c(C)c[n+]1C.CCc1n(C)cc[n+]1C.CCn1cc[n+](C)c1C.
What is the InChIKey of 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?
The InChIKey is FVRXOKCFWIBIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N2.2C7H13N2/c1-5-8-6-9(3)7(2)10(8)4;1-5-8-9(3)6-7(2)10(8)4;1-4-7-8(2)5-6-9(7)3;1-4-9-6-5-8(3)7(9)2/h2*6H,5H2,1-4H3;2*5-6H,4H2,1-3H3/q4*+1.
What are the key properties of 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?
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 has a molecular weight of 528.83 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158156071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).