1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium

C11H18N4+2 — CID 67973176

IUPAC1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium
SMILESCC1=NC=C[N+]1(C)C[N+]1(C)C=CN=C1C
InChIInChI=1S/C11H18N4/c1-10-12-5-7-14(10,3)9-15(4)8-6-13-11(15)2/h5-8H,9H2,1-4H3/q+2
InChIKeyKHIDDTDOQHWJEK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds2

About 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium

1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium (PubChem CID 67973176) has the molecular formula C11H18N4+2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium.

Molecular Properties

Compound Name1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium
PubChem CID67973176
Molecular FormulaC11H18N4+2
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium
SMILESCC1=NC=C[N+]1(C)C[N+]1(C)C=CN=C1C
InChIInChI=1S/C11H18N4/c1-10-12-5-7-14(10,3)9-15(4)8-6-13-11(15)2/h5-8H,9H2,1-4H3/q+2
InChIKeyKHIDDTDOQHWJEK-UHFFFAOYSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium?
The IUPAC name of 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium (CID 67973176) is 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium.
What is the SMILES notation for 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium?
The canonical SMILES for 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium is CC1=NC=C[N+]1(C)C[N+]1(C)C=CN=C1C.
What is the InChIKey of 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium?
The InChIKey is KHIDDTDOQHWJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-10-12-5-7-14(10,3)9-15(4)8-6-13-11(15)2/h5-8H,9H2,1-4H3/q+2.
What are the key properties of 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium?
1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium has a molecular weight of 206.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylimidazol-1-ium-1-yl)methyl]-1,2-dimethylimidazol-1-ium is sourced from PubChem (CID 67973176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).