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

C9H14N4+2 — CID 148919359

IUPAC1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
SMILESC[NH+]1C=CN=C1CC1=NC=C[NH+]1C
InChIInChI=1S/C9H12N4/c1-12-5-3-10-8(12)7-9-11-4-6-13(9)2/h3-6H,7H2,1-2H3/p+2
InChIKeyAXJPGQWLRSRHIW-UHFFFAOYSA-P
MW178.24 g/mol
LogP-1.83
Rot. Bonds2

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

1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium (PubChem CID 148919359) has the molecular formula C9H14N4+2 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
PubChem CID148919359
Molecular FormulaC9H14N4+2
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
SMILESC[NH+]1C=CN=C1CC1=NC=C[NH+]1C
InChIInChI=1S/C9H12N4/c1-12-5-3-10-8(12)7-9-11-4-6-13(9)2/h3-6H,7H2,1-2H3/p+2
InChIKeyAXJPGQWLRSRHIW-UHFFFAOYSA-P
XLogP-1.83
TPSA33.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
3-methyl-2-[(3-methyl-1H-imidazole-1,3-diium-2-yl)methyl]-1H-imidazole-1,3-diium
CID 20776929
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-butyl-1-methyl-1H-imidazol-1-ium bromide
CID 66620666
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
2-ethyl-1-methyl-1H-imidazol-1-ium chloride
CID 66778723
3-(1-methyl-1H-imidazol-1-ium-2-yl)propan-1-amine bromide
CID 66882482
1-methyl-2-propyl-1H-imidazol-1-ium iodide
CID 66955139
bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride
CID 70418563
N-ethenyl-N'-methylpropanimidamide
CID 91077159

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium?
The IUPAC name of 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium (CID 148919359) is 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium.
What is the SMILES notation for 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium?
The canonical SMILES for 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium is C[NH+]1C=CN=C1CC1=NC=C[NH+]1C.
What is the InChIKey of 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium?
The InChIKey is AXJPGQWLRSRHIW-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H12N4/c1-12-5-3-10-8(12)7-9-11-4-6-13(9)2/h3-6H,7H2,1-2H3/p+2.
What are the key properties of 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium?
1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium has a molecular weight of 178.24 g/mol, XLogP of -1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium is sourced from PubChem (CID 148919359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).