1,2,3,4,5-pentamethylimidazol-1-ium

C8H15N2+ — CID 11032788

IUPAC1,2,3,4,5-pentamethylimidazol-1-ium
SMILESCc1c(C)[n+](C)c(C)n1C
InChIInChI=1S/C8H15N2/c1-6-7(2)10(5)8(3)9(6)4/h1-5H3/q+1
InChIKeyDREZKWDRXQDOGO-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.77
Rot. Bonds

About 1,2,3,4,5-pentamethylimidazol-1-ium

1,2,3,4,5-pentamethylimidazol-1-ium (PubChem CID 11032788) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylimidazol-1-ium.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylimidazol-1-ium
PubChem CID11032788
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name1,2,3,4,5-pentamethylimidazol-1-ium
SMILESCc1c(C)[n+](C)c(C)n1C
InChIInChI=1S/C8H15N2/c1-6-7(2)10(5)8(3)9(6)4/h1-5H3/q+1
InChIKeyDREZKWDRXQDOGO-UHFFFAOYSA-N
XLogP0.77
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.77
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

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
1H-Imidazole, 2-nitro-1,4,5-trimethyl-
CID 201544
4-amino-1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 12239847
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2,4,5-Trimethyl-1H-imidazol-1-OL
CID 3271952
2-chloro-1,4,5-trimethyl-1H-imidazole
CID 17929113
1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde
CID 18612400
3-(2,4,5-Trimethyl-1H-imidazol-1-yl)propan-1-amine
CID 18722289
1-(1,4,5-Trimethylimidazol-2-yl)ethanone
CID 21028287
4-bromo-1,2,5-trimethyl-1H-imidazole
CID 30032997
1,4-dimethyl-1H-imidazol-5-amine
CID 45116671
2,3-dimethyl-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 50987626

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylimidazol-1-ium?
The IUPAC name of 1,2,3,4,5-pentamethylimidazol-1-ium (CID 11032788) is 1,2,3,4,5-pentamethylimidazol-1-ium.
What is the SMILES notation for 1,2,3,4,5-pentamethylimidazol-1-ium?
The canonical SMILES for 1,2,3,4,5-pentamethylimidazol-1-ium is Cc1c(C)[n+](C)c(C)n1C.
What is the InChIKey of 1,2,3,4,5-pentamethylimidazol-1-ium?
The InChIKey is DREZKWDRXQDOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-6-7(2)10(5)8(3)9(6)4/h1-5H3/q+1.
What are the key properties of 1,2,3,4,5-pentamethylimidazol-1-ium?
1,2,3,4,5-pentamethylimidazol-1-ium has a molecular weight of 139.22 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylimidazol-1-ium is sourced from PubChem (CID 11032788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).