1-ethyl-4-methyl-1H-imidazol-1-ium chloride

C6H11ClN2 — CID 160545986

IUPAC1-ethyl-4-methyl-1H-imidazol-1-ium chloride
SMILESCC[NH+]1C=NC(C)=C1.[Cl-]
InChIInChI=1S/C6H10N2.ClH/c1-3-8-4-6(2)7-5-8;/h4-5H,3H2,1-2H3;1H
InChIKeyQXKYFZKBYCGJOF-UHFFFAOYSA-N
MW146.62 g/mol
LogP-3.20
Rot. Bonds1

About 1-ethyl-4-methyl-1H-imidazol-1-ium chloride

1-ethyl-4-methyl-1H-imidazol-1-ium chloride (PubChem CID 160545986) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 1-ethyl-4-methyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-ethyl-4-methyl-1H-imidazol-1-ium chloride
PubChem CID160545986
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name1-ethyl-4-methyl-1H-imidazol-1-ium chloride
SMILESCC[NH+]1C=NC(C)=C1.[Cl-]
InChIInChI=1S/C6H10N2.ClH/c1-3-8-4-6(2)7-5-8;/h4-5H,3H2,1-2H3;1H
InChIKeyQXKYFZKBYCGJOF-UHFFFAOYSA-N
XLogP-3.20
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 5-3.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethylimidazolium chloride
CID 19979778
Allylimidazolium chloride
CID 66634019
4-methyl-1H-imidazol-1-ium chloride
CID 53447252
N-[(E)-1-aminoprop-1-en-2-yl]-N'-(1-fluoroethyl)methanimidamide
CID 173795794
4-methyl-1H-imidazol-1-ium
CID 59048718
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
1-methanidyl-4-methyl-1H-imidazol-1-ium
CID 21353566
1-propan-2-yl-1H-imidazol-1-ium
CID 22597213
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
1,4-dimethyl-1H-imidazol-1-ium
CID 59889377
2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
1-ethyl-4-methyl-1H-imidazol-1-ium nitrate
CID 68599656

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1-ethyl-4-methyl-1H-imidazol-1-ium chloride (CID 160545986) is 1-ethyl-4-methyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-ethyl-4-methyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-ethyl-4-methyl-1H-imidazol-1-ium chloride is CC[NH+]1C=NC(C)=C1.[Cl-].
What is the InChIKey of 1-ethyl-4-methyl-1H-imidazol-1-ium chloride?
The InChIKey is QXKYFZKBYCGJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c1-3-8-4-6(2)7-5-8;/h4-5H,3H2,1-2H3;1H.
What are the key properties of 1-ethyl-4-methyl-1H-imidazol-1-ium chloride?
1-ethyl-4-methyl-1H-imidazol-1-ium chloride has a molecular weight of 146.62 g/mol, XLogP of -3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 160545986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).