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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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).