1,2-dimethyl-1H-imidazol-1-ium bromide

C5H9BrN2 — CID 70301848

IUPAC1,2-dimethyl-1H-imidazol-1-ium bromide
SMILESCC1=NC=C[NH+]1C.[Br-]
InChIInChI=1S/C5H8N2.BrH/c1-5-6-3-4-7(5)2;/h3-4H,1-2H3;1H
InChIKeyISRUXRRIYSFRRM-UHFFFAOYSA-N
MW177.05 g/mol
LogP-3.59
Rot. Bonds

About 1,2-dimethyl-1H-imidazol-1-ium bromide

1,2-dimethyl-1H-imidazol-1-ium bromide (PubChem CID 70301848) has the molecular formula C5H9BrN2 and a molecular weight of 177.05 g/mol. Its IUPAC name is 1,2-dimethyl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name1,2-dimethyl-1H-imidazol-1-ium bromide
PubChem CID70301848
Molecular FormulaC5H9BrN2
Molecular Weight177.05 g/mol
Exact Mass175.99
IUPAC Name1,2-dimethyl-1H-imidazol-1-ium bromide
SMILESCC1=NC=C[NH+]1C.[Br-]
InChIInChI=1S/C5H8N2.BrH/c1-5-6-3-4-7(5)2;/h3-4H,1-2H3;1H
InChIKeyISRUXRRIYSFRRM-UHFFFAOYSA-N
XLogP-3.59
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.05
LogP ≤ 5-3.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2-dimethyl-1H-imidazol-1-ium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethylimidazolium bromide
CID 66724526
1,2-Dimethylimidazolium chloride
CID 66809752
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
2-methyl-1H-imidazol-1-ium
CID 19047642
1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1,1,2-Trimethylimidazol-1-ium bromide
CID 21650256
1,3-dimethyl-1H-imidazole-1,3-diium
CID 22947747
1-ethyl-1H-imidazol-1-ium
CID 23288726
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
2-Methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 59701338

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1H-imidazol-1-ium bromide?
The IUPAC name of 1,2-dimethyl-1H-imidazol-1-ium bromide (CID 70301848) is 1,2-dimethyl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 1,2-dimethyl-1H-imidazol-1-ium bromide?
The canonical SMILES for 1,2-dimethyl-1H-imidazol-1-ium bromide is CC1=NC=C[NH+]1C.[Br-].
What is the InChIKey of 1,2-dimethyl-1H-imidazol-1-ium bromide?
The InChIKey is ISRUXRRIYSFRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.BrH/c1-5-6-3-4-7(5)2;/h3-4H,1-2H3;1H.
What are the key properties of 1,2-dimethyl-1H-imidazol-1-ium bromide?
1,2-dimethyl-1H-imidazol-1-ium bromide has a molecular weight of 177.05 g/mol, XLogP of -3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1H-imidazol-1-ium bromide is sourced from PubChem (CID 70301848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).