1,3-diethyl-4,5-dihydroimidazol-1-ium

C7H15N2+ — CID 22044354

IUPAC1,3-diethyl-4,5-dihydroimidazol-1-ium
SMILESCCN1C=[N+](CC)CC1
InChIInChI=1S/C7H15N2/c1-3-8-5-6-9(4-2)7-8/h7H,3-6H2,1-2H3/q+1
InChIKeySGPPDBHMWBYJJN-UHFFFAOYSA-N
MW127.21 g/mol
LogP0.38
Rot. Bonds2

About 1,3-diethyl-4,5-dihydroimidazol-1-ium

1,3-diethyl-4,5-dihydroimidazol-1-ium (PubChem CID 22044354) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 1,3-diethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-diethyl-4,5-dihydroimidazol-1-ium
PubChem CID22044354
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name1,3-diethyl-4,5-dihydroimidazol-1-ium
SMILESCCN1C=[N+](CC)CC1
InChIInChI=1S/C7H15N2/c1-3-8-5-6-9(4-2)7-8/h7H,3-6H2,1-2H3/q+1
InChIKeySGPPDBHMWBYJJN-UHFFFAOYSA-N
XLogP0.38
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(Dimethylaminoethyl)-N,N-dimethylformamidine
CID 58281
2-Chloro-1,3-dimethylimidazolinium
CID 4176750
1,3-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 499184
2-Fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CID 2779127
1-Ethyl-2-methylimidazoline
CID 10996989
1,1'-(1,2-Ethanediyl)bis[4,5-dihydro-1H-imidazole]
CID 11805126
Ethyl imidazoline
CID 485092
1H-Imidazole, 4,5-dihydro-1-methyl-
CID 3744783
1-Butyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 9794013
1-Butyl-4,5-dihydro-1H-imidazole
CID 12386885
1,2-Dimethyl-4,5-dihydro-1H-imidazole
CID 12762328
Propylimidazoline
CID 18667842

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3-diethyl-4,5-dihydroimidazol-1-ium (CID 22044354) is 1,3-diethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-diethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-diethyl-4,5-dihydroimidazol-1-ium is CCN1C=[N+](CC)CC1.
What is the InChIKey of 1,3-diethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is SGPPDBHMWBYJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-3-8-5-6-9(4-2)7-8/h7H,3-6H2,1-2H3/q+1.
What are the key properties of 1,3-diethyl-4,5-dihydroimidazol-1-ium?
1,3-diethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 127.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 22044354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).