2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine

C22H17FN3O+ — CID 153464341

IUPAC2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(F)ccc32)c1-c1n(-c2ccccc2)cc[n+]1C
InChIInChI=1S/C22H17FN3O/c1-14-8-9-16-17-10-11-18(23)24-21(17)27-20(16)19(14)22-25(2)12-13-26(22)15-6-4-3-5-7-15/h3-13H,1-2H3/q+1
InChIKeyHGSGFLSDVNMRAX-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.71
Rot. Bonds2

About 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine

2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 153464341) has the molecular formula C22H17FN3O+ and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID153464341
Molecular FormulaC22H17FN3O+
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(F)ccc32)c1-c1n(-c2ccccc2)cc[n+]1C
InChIInChI=1S/C22H17FN3O/c1-14-8-9-16-17-10-11-18(23)24-21(17)27-20(16)19(14)22-25(2)12-13-26(22)15-6-4-3-5-7-15/h3-13H,1-2H3/q+1
InChIKeyHGSGFLSDVNMRAX-UHFFFAOYSA-N
XLogP4.71
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592274
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)benzofuro[2,3-d]pyrimidin-4-amine
CID 53321324
2-ethyl-5-[8-[[4-(4-fluorophenyl)phenyl]methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 156014691
US10676479, Example 67
CID 139346297
US11091495, Example 12
CID 139381725
US11091495, Example 44
CID 155788034
6-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
N-(benzofuran-4-ylmethyl)-8-(4-
CID 139346257
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
1-[(2-Phenyl-1-benzofuran-3-yl)methyl]benzimidazole
CID 71725441
3-(1-Benzofuran-6-yl)-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine
CID 172452115

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 153464341) is 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(F)ccc32)c1-c1n(-c2ccccc2)cc[n+]1C.
What is the InChIKey of 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HGSGFLSDVNMRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN3O/c1-14-8-9-16-17-10-11-18(23)24-21(17)27-20(16)19(14)22-25(2)12-13-26(22)15-6-4-3-5-7-15/h3-13H,1-2H3/q+1.
What are the key properties of 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?
2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 358.40 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153464341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).