2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium

C23H18FN2O+ — CID 147064190

IUPAC2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium
SMILESCc1cc2oc3cc(F)ccc3c2cc1-c1n(-c2ccccc2)cc[n+]1C
InChIInChI=1S/C23H18FN2O/c1-15-12-21-20(18-9-8-16(24)13-22(18)27-21)14-19(15)23-25(2)10-11-26(23)17-6-4-3-5-7-17/h3-14H,1-2H3/q+1
InChIKeyYTLJGEYUGGECBQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.32
Rot. Bonds2

About 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium

2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium (PubChem CID 147064190) has the molecular formula C23H18FN2O+ and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium.

Molecular Properties

Compound Name2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium
PubChem CID147064190
Molecular FormulaC23H18FN2O+
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium
SMILESCc1cc2oc3cc(F)ccc3c2cc1-c1n(-c2ccccc2)cc[n+]1C
InChIInChI=1S/C23H18FN2O/c1-15-12-21-20(18-9-8-16(24)13-22(18)27-21)14-19(15)23-25(2)10-11-26(23)17-6-4-3-5-7-17/h3-14H,1-2H3/q+1
InChIKeyYTLJGEYUGGECBQ-UHFFFAOYSA-N
XLogP5.32
TPSA21.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[[5-Methyl-2-(2-methyl-1-benzofuran-5-yl)imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 121269556
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
2-[2-Ethyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazol-3-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 71726798
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]-2-methylimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 72203767
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 72204128
2-[3-(1-Dibenzofuran-2-ylethyl)-2-methylimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide
CID 72205817
2-[3-(1-Dibenzofuran-2-ylethyl)-2-methylimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 72205823
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]-2-methylimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide
CID 72206563
2-(1-Benzofuran-5-yl)-6-imidazol-1-ylquinazoline
CID 24898734
US10676479, Example 67
CID 139346297
6-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 57404426

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium?
The IUPAC name of 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium (CID 147064190) is 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium.
What is the SMILES notation for 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium?
The canonical SMILES for 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium is Cc1cc2oc3cc(F)ccc3c2cc1-c1n(-c2ccccc2)cc[n+]1C.
What is the InChIKey of 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium?
The InChIKey is YTLJGEYUGGECBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN2O/c1-15-12-21-20(18-9-8-16(24)13-22(18)27-21)14-19(15)23-25(2)10-11-26(23)17-6-4-3-5-7-17/h3-14H,1-2H3/q+1.
What are the key properties of 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium?
2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium has a molecular weight of 357.41 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3-methyldibenzofuran-2-yl)-1-methyl-3-phenylimidazol-1-ium is sourced from PubChem (CID 147064190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).