2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone

C28H23N2O+ — CID 3881851

IUPAC2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)[n+](CC(=O)c2ccccc2)c2ccccn12
InChIInChI=1S/C28H23N2O/c1-21-28(25-17-15-23(16-18-25)22-10-4-2-5-11-22)30(27-14-8-9-19-29(21)27)20-26(31)24-12-6-3-7-13-24/h2-19H,20H2,1H3/q+1
InChIKeyGRYQMOOWIUXGRN-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.75
Rot. Bonds5

About 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone

2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone (PubChem CID 3881851) has the molecular formula C28H23N2O+ and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone
PubChem CID3881851
Molecular FormulaC28H23N2O+
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC Name2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)[n+](CC(=O)c2ccccc2)c2ccccn12
InChIInChI=1S/C28H23N2O/c1-21-28(25-17-15-23(16-18-25)22-10-4-2-5-11-22)30(27-14-8-9-19-29(21)27)20-26(31)24-12-6-3-7-13-24/h2-19H,20H2,1H3/q+1
InChIKeyGRYQMOOWIUXGRN-UHFFFAOYSA-N
XLogP5.75
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone bromide
CID 126475975
1-(4-phenylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone;hydrobromide
CID 126959018
2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone iodide
CID 14438048
1-phenyl-2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanone chloride
CID 21079115
CID 162409088
CID 162409088
1-phenacylpyridin-1-ium-2,6-dicarboxylic acid bromide
CID 22462631
1-phenyl-2-(1-phenylisoquinolin-2-ium-2-yl)ethanone
CID 139740129
1-(4-phenylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 972377
2-(2,4-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone
CID 13212730
2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
CID 46786462
2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone
CID 4687253
2-[2-amino-3-methyl-4-(4-phenylphenyl)imidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone
CID 4242965

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone?
The IUPAC name of 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone (CID 3881851) is 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone is Cc1c(-c2ccc(-c3ccccc3)cc2)[n+](CC(=O)c2ccccc2)c2ccccn12.
What is the InChIKey of 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone?
The InChIKey is GRYQMOOWIUXGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N2O/c1-21-28(25-17-15-23(16-18-25)22-10-4-2-5-11-22)30(27-14-8-9-19-29(21)27)20-26(31)24-12-6-3-7-13-24/h2-19H,20H2,1H3/q+1.
What are the key properties of 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone?
2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone has a molecular weight of 403.51 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-1-ium-1-yl]-1-phenylethanone is sourced from PubChem (CID 3881851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).