5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride

C25H23ClN2O2 — CID 10477149

IUPAC5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
SMILESCc1cccc2n1cc[n+]2CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.[Cl-]
InChIInChI=1S/C25H23N2O2.ClH/c1-19-9-8-14-23-26(15-16-27(19)23)18-22-17-25(24(28)29-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-16,22H,17-18H2,1H3;1H/q+1;/p-1
InChIKeyZPZZKZABMZYTLH-UHFFFAOYSA-M
MW418.92 g/mol
LogP0.84
Rot. Bonds4

About 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride

5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride (PubChem CID 10477149) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride.

Molecular Properties

Compound Name5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
PubChem CID10477149
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
SMILESCc1cccc2n1cc[n+]2CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.[Cl-]
InChIInChI=1S/C25H23N2O2.ClH/c1-19-9-8-14-23-26(15-16-27(19)23)18-22-17-25(24(28)29-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-16,22H,17-18H2,1H3;1H/q+1;/p-1
InChIKeyZPZZKZABMZYTLH-UHFFFAOYSA-M
XLogP0.84
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride?
The IUPAC name of 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride (CID 10477149) is 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride.
What is the SMILES notation for 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride?
The canonical SMILES for 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride is Cc1cccc2n1cc[n+]2CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.[Cl-].
What is the InChIKey of 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride?
The InChIKey is ZPZZKZABMZYTLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H23N2O2.ClH/c1-19-9-8-14-23-26(15-16-27(19)23)18-22-17-25(24(28)29-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-16,22H,17-18H2,1H3;1H/q+1;/p-1.
What are the key properties of 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride?
5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride has a molecular weight of 418.92 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylimidazo[1,2-a]pyridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride is sourced from PubChem (CID 10477149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).