7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine

C16H16N2O2S — CID 39847846

IUPAC7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(S(=O)(=O)Cc2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C16H16N2O2S/c1-12-3-5-15(6-4-12)21(19,20)11-14-10-18-8-7-13(2)9-16(18)17-14/h3-10H,11H2,1-2H3
InChIKeyZYGWIZLDUMESNI-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.93
Rot. Bonds3

About 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine

7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine (PubChem CID 39847846) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
PubChem CID39847846
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(S(=O)(=O)Cc2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C16H16N2O2S/c1-12-3-5-15(6-4-12)21(19,20)11-14-10-18-8-7-13(2)9-16(18)17-14/h3-10H,11H2,1-2H3
InChIKeyZYGWIZLDUMESNI-UHFFFAOYSA-N
XLogP2.93
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine (CID 39847846) is 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine is Cc1ccc(S(=O)(=O)Cc2cn3ccc(C)cc3n2)cc1.
What is the InChIKey of 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is ZYGWIZLDUMESNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-12-3-5-15(6-4-12)21(19,20)11-14-10-18-8-7-13(2)9-16(18)17-14/h3-10H,11H2,1-2H3.
What are the key properties of 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine?
7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 300.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 39847846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).