3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol

C20H22FN2O2+ — CID 4150624

IUPAC3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESCOc1ccccc1N1CC(O)(c2ccc(F)cc2)[N+]2=C1CCCC2
InChIInChI=1S/C20H22FN2O2/c1-25-18-7-3-2-6-17(18)22-14-20(24,15-9-11-16(21)12-10-15)23-13-5-4-8-19(22)23/h2-3,6-7,9-12,24H,4-5,8,13-14H2,1H3/q+1
InChIKeyCOWDKAPHSWBSNX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.09
Rot. Bonds3

About 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol

3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (PubChem CID 4150624) has the molecular formula C20H22FN2O2+ and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
PubChem CID4150624
Molecular FormulaC20H22FN2O2+
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESCOc1ccccc1N1CC(O)(c2ccc(F)cc2)[N+]2=C1CCCC2
InChIInChI=1S/C20H22FN2O2/c1-25-18-7-3-2-6-17(18)22-14-20(24,15-9-11-16(21)12-10-15)23-13-5-4-8-19(22)23/h2-3,6-7,9-12,24H,4-5,8,13-14H2,1H3/q+1
InChIKeyCOWDKAPHSWBSNX-UHFFFAOYSA-N
XLogP3.09
TPSA35.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (CID 4150624) is 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is COc1ccccc1N1CC(O)(c2ccc(F)cc2)[N+]2=C1CCCC2.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The InChIKey is COWDKAPHSWBSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN2O2/c1-25-18-7-3-2-6-17(18)22-14-20(24,15-9-11-16(21)12-10-15)23-13-5-4-8-19(22)23/h2-3,6-7,9-12,24H,4-5,8,13-14H2,1H3/q+1.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol has a molecular weight of 341.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is sourced from PubChem (CID 4150624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).