1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium

C20H17N2+ — CID 3293402

IUPAC1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium
SMILESCc1ccc(-n2c(-c3ccccc3)c[n+]3ccccc23)cc1
InChIInChI=1S/C20H17N2/c1-16-10-12-18(13-11-16)22-19(17-7-3-2-4-8-17)15-21-14-6-5-9-20(21)22/h2-15H,1H3/q+1
InChIKeyBRSDHZQIWXRHQP-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium

1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium (PubChem CID 3293402) has the molecular formula C20H17N2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium
PubChem CID3293402
Molecular FormulaC20H17N2+
Molecular Weight285.37 g/mol
Exact Mass285.14
IUPAC Name1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium
SMILESCc1ccc(-n2c(-c3ccccc3)c[n+]3ccccc23)cc1
InChIInChI=1S/C20H17N2/c1-16-10-12-18(13-11-16)22-19(17-7-3-2-4-8-17)15-21-14-6-5-9-20(21)22/h2-15H,1H3/q+1
InChIKeyBRSDHZQIWXRHQP-UHFFFAOYSA-N
XLogP4.19
TPSA9.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide
CID 21178993
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
2-phenyl-1-[8-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)octyl]imidazo[1,2-a]pyridin-4-ium;dibromide;trihydrate
CID 24839160
2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium
CID 3880354
2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate
CID 15588602
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide
CID 126956899
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
1,2-bis(4-methylphenyl)indole
CID 151814608

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium (CID 3293402) is 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium is Cc1ccc(-n2c(-c3ccccc3)c[n+]3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium?
The InChIKey is BRSDHZQIWXRHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2/c1-16-10-12-18(13-11-16)22-19(17-7-3-2-4-8-17)15-21-14-6-5-9-20(21)22/h2-15H,1H3/q+1.
What are the key properties of 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium?
1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium has a molecular weight of 285.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 3293402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).