5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole

C18H14F2N4O — CID 127046799

IUPAC5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole
SMILESFc1ccc2c(c1)c(OCCn1ccnc1)nn2-c1ccccc1F
InChIInChI=1S/C18H14F2N4O/c19-13-5-6-16-14(11-13)18(25-10-9-23-8-7-21-12-23)22-24(16)17-4-2-1-3-15(17)20/h1-8,11-12H,9-10H2
InChIKeyQLEMAKXGMGBFET-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.58
Rot. Bonds5

About 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole

5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole (PubChem CID 127046799) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole.

Molecular Properties

Compound Name5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole
PubChem CID127046799
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole
SMILESFc1ccc2c(c1)c(OCCn1ccnc1)nn2-c1ccccc1F
InChIInChI=1S/C18H14F2N4O/c19-13-5-6-16-14(11-13)18(25-10-9-23-8-7-21-12-23)22-24(16)17-4-2-1-3-15(17)20/h1-8,11-12H,9-10H2
InChIKeyQLEMAKXGMGBFET-UHFFFAOYSA-N
XLogP3.58
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole?
The IUPAC name of 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole (CID 127046799) is 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole.
What is the SMILES notation for 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole?
The canonical SMILES for 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole is Fc1ccc2c(c1)c(OCCn1ccnc1)nn2-c1ccccc1F.
What is the InChIKey of 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole?
The InChIKey is QLEMAKXGMGBFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-13-5-6-16-14(11-13)18(25-10-9-23-8-7-21-12-23)22-24(16)17-4-2-1-3-15(17)20/h1-8,11-12H,9-10H2.
What are the key properties of 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole?
5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole has a molecular weight of 340.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole is sourced from PubChem (CID 127046799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).