4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium

C11H18N4+2 — CID 148919357

IUPAC4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium
SMILESCC1=NC(CC2=C[NH+](C)C(C)=N2)=C[NH+]1C
InChIInChI=1S/C11H16N4/c1-8-12-10(6-14(8)3)5-11-7-15(4)9(2)13-11/h6-7H,5H2,1-4H3/p+2
InChIKeyUVTBCCGLVNYCQR-UHFFFAOYSA-P
MW206.29 g/mol
LogP-1.05
Rot. Bonds2

About 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium

4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium (PubChem CID 148919357) has the molecular formula C11H18N4+2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium
PubChem CID148919357
Molecular FormulaC11H18N4+2
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium
SMILESCC1=NC(CC2=C[NH+](C)C(C)=N2)=C[NH+]1C
InChIInChI=1S/C11H16N4/c1-8-12-10(6-14(8)3)5-11-7-15(4)9(2)13-11/h6-7H,5H2,1-4H3/p+2
InChIKeyUVTBCCGLVNYCQR-UHFFFAOYSA-P
XLogP-1.05
TPSA33.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium with MolForge

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Launch Full Analysis

Related Compounds

1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
1,2,4-trimethyl-1H-imidazol-1-ium
CID 149435307
4-butyl-1,2-dimethyl-1H-imidazol-1-ium
CID 154065056
4-ethyl-1,2-dimethyl-1H-imidazol-1-ium
CID 154104252

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium?
The IUPAC name of 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium (CID 148919357) is 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium.
What is the SMILES notation for 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium?
The canonical SMILES for 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium is CC1=NC(CC2=C[NH+](C)C(C)=N2)=C[NH+]1C.
What is the InChIKey of 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium?
The InChIKey is UVTBCCGLVNYCQR-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H16N4/c1-8-12-10(6-14(8)3)5-11-7-15(4)9(2)13-11/h6-7H,5H2,1-4H3/p+2.
What are the key properties of 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium?
4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium has a molecular weight of 206.29 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2-dimethyl-1H-imidazol-1-ium-4-yl)methyl]-1,2-dimethyl-1H-imidazol-1-ium is sourced from PubChem (CID 148919357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).