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

C20H17N2+ — CID 4182875

IUPAC2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium
SMILESCc1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C20H17N2/c1-16-10-12-17(13-11-16)19-15-21-14-6-5-9-20(21)22(19)18-7-3-2-4-8-18/h2-15H,1H3/q+1
InChIKeyAKQXDAHGXLONFQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.19
Rot. Bonds2

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

2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium (PubChem CID 4182875) has the molecular formula C20H17N2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium
PubChem CID4182875
Molecular FormulaC20H17N2+
Molecular Weight285.37 g/mol
Exact Mass285.14
IUPAC Name2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium
SMILESCc1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C20H17N2/c1-16-10-12-17(13-11-16)19-15-21-14-6-5-9-20(21)22(19)18-7-3-2-4-8-18/h2-15H,1H3/q+1
InChIKeyAKQXDAHGXLONFQ-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium (CID 4182875) is 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium is Cc1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium?
The InChIKey is AKQXDAHGXLONFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2/c1-16-10-12-17(13-11-16)19-15-21-14-6-5-9-20(21)22(19)18-7-3-2-4-8-18/h2-15H,1H3/q+1.
What are the key properties of 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium?
2-(4-methylphenyl)-1-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 2-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 4182875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).