1-methyl-1H-imidazol-1-ium perchlorate

C4H7ClN2O4 — CID 87748203

IUPAC1-methyl-1H-imidazol-1-ium perchlorate
SMILESC[NH+]1C=CN=C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H6N2.ClHO4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;(H,2,3,4,5)
InChIKeyZBBUFYIXSWZOIF-UHFFFAOYSA-N
MW182.56 g/mol
LogP-5.74
Rot. Bonds

About 1-methyl-1H-imidazol-1-ium perchlorate

1-methyl-1H-imidazol-1-ium perchlorate (PubChem CID 87748203) has the molecular formula C4H7ClN2O4 and a molecular weight of 182.56 g/mol. Its IUPAC name is 1-methyl-1H-imidazol-1-ium perchlorate.

Molecular Properties

Compound Name1-methyl-1H-imidazol-1-ium perchlorate
PubChem CID87748203
Molecular FormulaC4H7ClN2O4
Molecular Weight182.56 g/mol
Exact Mass182.01
IUPAC Name1-methyl-1H-imidazol-1-ium perchlorate
SMILESC[NH+]1C=CN=C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H6N2.ClHO4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;(H,2,3,4,5)
InChIKeyZBBUFYIXSWZOIF-UHFFFAOYSA-N
XLogP-5.74
TPSA109.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.56
LogP ≤ 5-5.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-1H-imidazol-1-ium perchlorate 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 chloride
CID 19979778
1-methyl-1H-imidazol-1-ium
CID 59438645
Methyl 1h imidazolium fluoride
CID 69338659
1-Ethyl-1-methylimidazol-1-ium perchlorate
CID 18377244
1-methyl-1H-imidazol-1-ium iodide
CID 18699301
1-methanidyl-1H-imidazol-1-ium
CID 21353568
chloromethane;1-ethenyl-1H-imidazol-1-ium
CID 22046098
1,3-dimethyl-1H-imidazole-1,3-diium
CID 22947747
1-methyl-1H-imidazol-1-ium chloride
CID 66586305
1-methyl-1H-imidazol-1-ium bromide
CID 66724260
1-methyl-1H-imidazol-1-ium nitrate
CID 67119932
1H-imidazol-1-ium perchlorate
CID 87649563

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1H-imidazol-1-ium perchlorate?
The IUPAC name of 1-methyl-1H-imidazol-1-ium perchlorate (CID 87748203) is 1-methyl-1H-imidazol-1-ium perchlorate.
What is the SMILES notation for 1-methyl-1H-imidazol-1-ium perchlorate?
The canonical SMILES for 1-methyl-1H-imidazol-1-ium perchlorate is C[NH+]1C=CN=C1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-methyl-1H-imidazol-1-ium perchlorate?
The InChIKey is ZBBUFYIXSWZOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.ClHO4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;(H,2,3,4,5).
What are the key properties of 1-methyl-1H-imidazol-1-ium perchlorate?
1-methyl-1H-imidazol-1-ium perchlorate has a molecular weight of 182.56 g/mol, XLogP of -5.74, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1H-imidazol-1-ium perchlorate is sourced from PubChem (CID 87748203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).