1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium

C7H15N2+ — CID 11458345

IUPAC1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium
SMILESCC1=[N+](C)CC(C)N1C
InChIInChI=1S/C7H15N2/c1-6-5-8(3)7(2)9(6)4/h6H,5H2,1-4H3/q+1
InChIKeyPNLIHMAAOBEPHL-UHFFFAOYSA-N
MW127.21 g/mol
LogP0.38
Rot. Bonds

About 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium

1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium (PubChem CID 11458345) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium
PubChem CID11458345
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium
SMILESCC1=[N+](C)CC(C)N1C
InChIInChI=1S/C7H15N2/c1-6-5-8(3)7(2)9(6)4/h6H,5H2,1-4H3/q+1
InChIKeyPNLIHMAAOBEPHL-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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium (CID 11458345) is 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium is CC1=[N+](C)CC(C)N1C.
What is the InChIKey of 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is PNLIHMAAOBEPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-6-5-8(3)7(2)9(6)4/h6H,5H2,1-4H3/q+1.
What are the key properties of 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium?
1,2,3,4-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 1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 11458345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).