(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite

C4H5ClN2O3S — CID 174302184

IUPAC(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite
SMILESCn1cnc(Cl)c1OS(=O)O
InChIInChI=1S/C4H5ClN2O3S/c1-7-2-6-3(5)4(7)10-11(8)9/h2H,1H3,(H,8,9)
InChIKeyMCVNKOWSKUSTEP-UHFFFAOYSA-N
MW196.61 g/mol
LogP0.59
Rot. Bonds2

About (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite

(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite (PubChem CID 174302184) has the molecular formula C4H5ClN2O3S and a molecular weight of 196.61 g/mol. Its IUPAC name is (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite.

Molecular Properties

Compound Name(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite
PubChem CID174302184
Molecular FormulaC4H5ClN2O3S
Molecular Weight196.61 g/mol
Exact Mass195.97
IUPAC Name(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite
SMILESCn1cnc(Cl)c1OS(=O)O
InChIInChI=1S/C4H5ClN2O3S/c1-7-2-6-3(5)4(7)10-11(8)9/h2H,1H3,(H,8,9)
InChIKeyMCVNKOWSKUSTEP-UHFFFAOYSA-N
XLogP0.59
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite 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

4-chloro-1,5-dimethylimidazole
CID 59999519
6-chloro-5-fluoro-3-methylpyrimidin-4-one
CID 133060787
4-chloro-1-methyl-5-propan-2-ylimidazole
CID 146392537
(3,5-dichlorophenyl) hydrogen sulfite
CID 67303764
1-methylimidazole-4,5-diol
CID 91420197
6-chloro-3,8-dimethylpurine
CID 20700191
3-but-3-en-2-yl-6-chloro-5-methoxypyrimidin-4-one
CID 114585139
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
[[amino-(5-chloro-3-methylimidazol-4-yl)methylidene]amino] benzoate
CID 71441664
5-chloro-1-methylimidazol-4-amine
CID 23064494
6-chloro-5-fluoro-1-methylpyrimidin-4-one
CID 133060288
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite?
The IUPAC name of (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite (CID 174302184) is (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite.
What is the SMILES notation for (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite?
The canonical SMILES for (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite is Cn1cnc(Cl)c1OS(=O)O.
What is the InChIKey of (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite?
The InChIKey is MCVNKOWSKUSTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O3S/c1-7-2-6-3(5)4(7)10-11(8)9/h2H,1H3,(H,8,9).
What are the key properties of (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite?
(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite has a molecular weight of 196.61 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methylimidazol-4-yl) hydrogen sulfite is sourced from PubChem (CID 174302184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).