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

C7H15N2+ — CID 91506433

IUPAC1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium
SMILESCC1C(C)[N+](C)=CN1C
InChIInChI=1S/C7H15N2/c1-6-7(2)9(4)5-8(6)3/h5-7H,1-4H3/q+1
InChIKeyWTGACVQBCLWRAP-UHFFFAOYSA-N
MW127.21 g/mol
LogP0.38
Rot. Bonds

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

1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium (PubChem CID 91506433) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium
PubChem CID91506433
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium
SMILESCC1C(C)[N+](C)=CN1C
InChIInChI=1S/C7H15N2/c1-6-7(2)9(4)5-8(6)3/h5-7H,1-4H3/q+1
InChIKeyWTGACVQBCLWRAP-UHFFFAOYSA-N
XLogP0.38
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

1,3-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 499184
1H-Imidazole, 4,5-dihydro-1-methyl-
CID 3744783
1-Butyl-4,5-dihydro-1H-imidazole
CID 12386885
N-(i-propyl)imidazolidine-2-selenone
CID 12981032
Propylimidazoline
CID 18667842
1,3-Dimethyl-4,5-dihydroimidazol-1-ium
CID 20238538
1,1-Dimethyl-4,5-dihydroimidazol-1-ium
CID 21977283
1-Methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 123358722
1-(2-Fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
CID 155110830
1-(2-Fluoroethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378803
1-(Difluoromethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378807
1-(2-Fluoroethyl)-4-methyl-4,5-dihydroimidazole
CID 173378813

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium (CID 91506433) is 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium is CC1C(C)[N+](C)=CN1C.
What is the InChIKey of 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is WTGACVQBCLWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-6-7(2)9(4)5-8(6)3/h5-7H,1-4H3/q+1.
What are the key properties of 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium?
1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 127.21 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 91506433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).