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

C19H17FN2O — CID 126703313

IUPAC2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole
SMILESCn1ccnc1-c1ccc(Oc2ccc(F)c3c2CCC3)cc1
InChIInChI=1S/C19H17FN2O/c1-22-12-11-21-19(22)13-5-7-14(8-6-13)23-18-10-9-17(20)15-3-2-4-16(15)18/h5-12H,2-4H2,1H3
InChIKeyGZMGIZZLPOGGGK-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.51
Rot. Bonds3

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

2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole (PubChem CID 126703313) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole
PubChem CID126703313
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole
SMILESCn1ccnc1-c1ccc(Oc2ccc(F)c3c2CCC3)cc1
InChIInChI=1S/C19H17FN2O/c1-22-12-11-21-19(22)13-5-7-14(8-6-13)23-18-10-9-17(20)15-3-2-4-16(15)18/h5-12H,2-4H2,1H3
InChIKeyGZMGIZZLPOGGGK-UHFFFAOYSA-N
XLogP4.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.51
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-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole?
The IUPAC name of 2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole (CID 126703313) is 2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole.
What is the SMILES notation for 2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole?
The canonical SMILES for 2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole is Cn1ccnc1-c1ccc(Oc2ccc(F)c3c2CCC3)cc1.
What is the InChIKey of 2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole?
The InChIKey is GZMGIZZLPOGGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-22-12-11-21-19(22)13-5-7-14(8-6-13)23-18-10-9-17(20)15-3-2-4-16(15)18/h5-12H,2-4H2,1H3.
What are the key properties of 2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole?
2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole has a molecular weight of 308.36 g/mol, XLogP of 4.51, 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-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-1-methylimidazole is sourced from PubChem (CID 126703313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).