4-ethyl-1,2-dimethyl-1H-imidazol-1-ium

C7H13N2+ — CID 154104252

IUPAC4-ethyl-1,2-dimethyl-1H-imidazol-1-ium
SMILESCCC1=C[NH+](C)C(C)=N1
InChIInChI=1S/C7H12N2/c1-4-7-5-9(3)6(2)8-7/h5H,4H2,1-3H3/p+1
InChIKeyGEFNFZTUZOXURZ-UHFFFAOYSA-O
MW125.19 g/mol
LogP0.18
Rot. Bonds1

About 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium

4-ethyl-1,2-dimethyl-1H-imidazol-1-ium (PubChem CID 154104252) has the molecular formula C7H13N2+ and a molecular weight of 125.19 g/mol. Its IUPAC name is 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name4-ethyl-1,2-dimethyl-1H-imidazol-1-ium
PubChem CID154104252
Molecular FormulaC7H13N2+
Molecular Weight125.19 g/mol
Exact Mass125.11
IUPAC Name4-ethyl-1,2-dimethyl-1H-imidazol-1-ium
SMILESCCC1=C[NH+](C)C(C)=N1
InChIInChI=1S/C7H12N2/c1-4-7-5-9(3)6(2)8-7/h5H,4H2,1-3H3/p+1
InChIKeyGEFNFZTUZOXURZ-UHFFFAOYSA-O
XLogP0.18
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-methyl-1H-imidazol-1-ium
CID 21549851
4-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 21705671
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
2-ethyl-4-methyl-1H-imidazol-1-ium bromide
CID 67927808
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
4-ethyl-1,2-dimethyl-1H-imidazol-1-ium tetrafluoroborate
CID 87687408
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
N-[(E)-2-amino-3-iodoprop-1-enyl]-N'-methylethanimidamide
CID 89843205
(4E)-2-methyl-1,6-dihydro-1,3-diazocine
CID 123209048
(7E)-2-methyl-1,6-dihydro-1,3-diazocine
CID 123877434

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium?
The IUPAC name of 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium (CID 154104252) is 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium.
What is the SMILES notation for 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium?
The canonical SMILES for 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium is CCC1=C[NH+](C)C(C)=N1.
What is the InChIKey of 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium?
The InChIKey is GEFNFZTUZOXURZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N2/c1-4-7-5-9(3)6(2)8-7/h5H,4H2,1-3H3/p+1.
What are the key properties of 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium?
4-ethyl-1,2-dimethyl-1H-imidazol-1-ium has a molecular weight of 125.19 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-dimethyl-1H-imidazol-1-ium is sourced from PubChem (CID 154104252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).