6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine

C34H25FN3O+ — CID 153464391

IUPAC6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2oc3nc(F)ccc3c2cc1-c1n(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc[n+]1C
InChIInChI=1S/C34H25FN3O/c1-22-20-30-29(27-16-17-31(35)36-33(27)39-30)21-28(22)34-37(2)18-19-38(34)32-25(23-10-5-3-6-11-23)14-9-15-26(32)24-12-7-4-8-13-24/h3-21H,1-2H3/q+1
InChIKeyYMZXFLVYYCXRJI-UHFFFAOYSA-N
MW510.59 g/mol
LogP8.04
Rot. Bonds4

About 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine

6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 153464391) has the molecular formula C34H25FN3O+ and a molecular weight of 510.59 g/mol. Its IUPAC name is 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID153464391
Molecular FormulaC34H25FN3O+
Molecular Weight510.59 g/mol
Exact Mass510.20
IUPAC Name6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2oc3nc(F)ccc3c2cc1-c1n(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc[n+]1C
InChIInChI=1S/C34H25FN3O/c1-22-20-30-29(27-16-17-31(35)36-33(27)39-30)21-28(22)34-37(2)18-19-38(34)32-25(23-10-5-3-6-11-23)14-9-15-26(32)24-12-7-4-8-13-24/h3-21H,1-2H3/q+1
InChIKeyYMZXFLVYYCXRJI-UHFFFAOYSA-N
XLogP8.04
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 58.04
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'}

Analyze 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10676479, Example 67
CID 139346297
6-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 72203962
2-[3-(1-Dibenzofuran-2-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 72206021
2-[3-(1-Dibenzofuran-2-ylethyl)benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 72206196
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
3-(1-Benzofuran-6-yl)-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine
CID 172452115
[4-[3-(1-Benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 177376547
2-butyl-7-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]imidazo[4,5-b]pyridine
CID 9847240
1'-Methyl-5-[2'-methyl-4'-(1-methylimidazol-5-yl)biphenyl-4-carbonyl]-2,3,6,7-tetrahydrospiro[furo[2,3-f]indole-3,4'-piperidine]
CID 21833747
1-(2,4-diisopropyldibenzo[b,d]furan-3-yl)-2-phenyl-1H-imidazole
CID 58400869
N,2-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 72862890

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine (CID 153464391) is 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine is Cc1cc2oc3nc(F)ccc3c2cc1-c1n(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc[n+]1C.
What is the InChIKey of 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is YMZXFLVYYCXRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25FN3O/c1-22-20-30-29(27-16-17-31(35)36-33(27)39-30)21-28(22)34-37(2)18-19-38(34)32-25(23-10-5-3-6-11-23)14-9-15-26(32)24-12-7-4-8-13-24/h3-21H,1-2H3/q+1.
What are the key properties of 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine?
6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 510.59 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153464391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).