7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine

C20H16N2O2S — CID 52945548

IUPAC7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccn2cc(-c3ccc(-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C20H16N2O2S/c1-25(23,24)18-11-12-22-14-19(21-20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyQBKAATYCRQYMOC-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.07
Rot. Bonds3

About 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine

7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine (PubChem CID 52945548) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine
PubChem CID52945548
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccn2cc(-c3ccc(-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C20H16N2O2S/c1-25(23,24)18-11-12-22-14-19(21-20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyQBKAATYCRQYMOC-UHFFFAOYSA-N
XLogP4.07
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine (CID 52945548) is 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccn2cc(-c3ccc(-c4ccccc4)cc3)nc2c1.
What is the InChIKey of 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is QBKAATYCRQYMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-25(23,24)18-11-12-22-14-19(21-20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine?
7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 348.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 52945548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).