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

C20H22FN2O2+ — CID 4102845

IUPAC3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESCOc1ccc(C2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(F)c1
InChIInChI=1S/C20H22FN2O2/c1-25-16-10-11-17(18(21)13-16)20(24)14-22(15-7-3-2-4-8-15)19-9-5-6-12-23(19)20/h2-4,7-8,10-11,13,24H,5-6,9,12,14H2,1H3/q+1
InChIKeySSXURHLRYLAVCV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.09
Rot. Bonds3

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

3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (PubChem CID 4102845) has the molecular formula C20H22FN2O2+ and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
PubChem CID4102845
Molecular FormulaC20H22FN2O2+
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESCOc1ccc(C2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(F)c1
InChIInChI=1S/C20H22FN2O2/c1-25-16-10-11-17(18(21)13-16)20(24)14-22(15-7-3-2-4-8-15)19-9-5-6-12-23(19)20/h2-4,7-8,10-11,13,24H,5-6,9,12,14H2,1H3/q+1
InChIKeySSXURHLRYLAVCV-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-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (CID 4102845) is 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is COc1ccc(C2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The InChIKey is SSXURHLRYLAVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN2O2/c1-25-16-10-11-17(18(21)13-16)20(24)14-22(15-7-3-2-4-8-15)19-9-5-6-12-23(19)20/h2-4,7-8,10-11,13,24H,5-6,9,12,14H2,1H3/q+1.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
3-(2-fluoro-4-methoxyphenyl)-1-phenyl-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-(2-fluoro-4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is sourced from PubChem (CID 4102845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).