2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole

C20H19FN2O — CID 123639090

IUPAC2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole
SMILESCC1CCc2c(Oc3ccc(-c4nccn4C)cc3)ccc(F)c21
InChIInChI=1S/C20H19FN2O/c1-13-3-8-16-18(10-9-17(21)19(13)16)24-15-6-4-14(5-7-15)20-22-11-12-23(20)2/h4-7,9-13H,3,8H2,1-2H3
InChIKeyZCKJDFZIAHRGCO-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.07
Rot. Bonds3

About 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole

2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole (PubChem CID 123639090) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole
PubChem CID123639090
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole
SMILESCC1CCc2c(Oc3ccc(-c4nccn4C)cc3)ccc(F)c21
InChIInChI=1S/C20H19FN2O/c1-13-3-8-16-18(10-9-17(21)19(13)16)24-15-6-4-14(5-7-15)20-22-11-12-23(20)2/h4-7,9-13H,3,8H2,1-2H3
InChIKeyZCKJDFZIAHRGCO-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide
CID 44373185
1-[[3-(2-Methylphenoxy)phenyl]methyl]imidazole
CID 71601948
1-(2-Methylpropyl)-5-(3-phenoxyphenyl)imidazole
CID 15749918
1-[2-(3-Fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
CID 6481268
1-[2-(2-Fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
CID 6481272
1-[2-(4-Fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
CID 6481273
2,2'-(1,4-Butanediylbis(oxy-4,1-phenylene))bis(1-methyl-1H-imidazole)
CID 44358143
2-(2-fluoro-5-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-1H-imidazole
CID 56870440
1-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
CID 57390475
1-[(1S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
CID 57392260
1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
CID 57392265
1-Benzyl-2-(4-methoxyphenyl)imidazole
CID 22961476

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole?
The IUPAC name of 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole (CID 123639090) is 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole.
What is the SMILES notation for 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole?
The canonical SMILES for 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole is CC1CCc2c(Oc3ccc(-c4nccn4C)cc3)ccc(F)c21.
What is the InChIKey of 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole?
The InChIKey is ZCKJDFZIAHRGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-13-3-8-16-18(10-9-17(21)19(13)16)24-15-6-4-14(5-7-15)20-22-11-12-23(20)2/h4-7,9-13H,3,8H2,1-2H3.
What are the key properties of 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole?
2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole has a molecular weight of 322.38 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole is sourced from PubChem (CID 123639090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).