3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

C16H15ClN2O2S — CID 134497414

IUPAC3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2c1CCl
InChIInChI=1S/C16H15ClN2O2S/c1-11-15(9-17)19-10-13(5-8-16(19)18-11)12-3-6-14(7-4-12)22(2,20)21/h3-8,10H,9H2,1-2H3
InChIKeyQITKWUZDIQGIQN-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.45
Rot. Bonds3

About 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 134497414) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID134497414
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2c1CCl
InChIInChI=1S/C16H15ClN2O2S/c1-11-15(9-17)19-10-13(5-8-16(19)18-11)12-3-6-14(7-4-12)22(2,20)21/h3-8,10H,9H2,1-2H3
InChIKeyQITKWUZDIQGIQN-UHFFFAOYSA-N
XLogP3.45
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 122601757
3-(chloromethyl)-2,6-dimethylimidazo[1,2-a]pyridine;hydrochloride
CID 82530392
formic acid;2-methyl-3-[(1R,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 138683162
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
3-(4-methylsulfonylphenyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 58329141
3-(chloromethyl)-4-methyl-5-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 115398447
2-methyl-6-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2759987
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070485
5-(chloromethyl)-2-(4-methylsulfonylphenyl)pyridine
CID 146419326
6-chloro-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
CID 132838378
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 134497414) is 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is Cc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is QITKWUZDIQGIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-11-15(9-17)19-10-13(5-8-16(19)18-11)12-3-6-14(7-4-12)22(2,20)21/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 334.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134497414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).