7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole

C18H12F2N4 — CID 68932417

IUPAC7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole
SMILESFc1ccc(C=Cc2[nH]nc3c(F)cc(-c4ncc[nH]4)cc23)cc1
InChIInChI=1S/C18H12F2N4/c19-13-4-1-11(2-5-13)3-6-16-14-9-12(18-21-7-8-22-18)10-15(20)17(14)24-23-16/h1-10H,(H,21,22)(H,23,24)
InChIKeyWAESDQXSZWKPQG-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.40
Rot. Bonds3

About 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole

7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole (PubChem CID 68932417) has the molecular formula C18H12F2N4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole.

Molecular Properties

Compound Name7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole
PubChem CID68932417
Molecular FormulaC18H12F2N4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole
SMILESFc1ccc(C=Cc2[nH]nc3c(F)cc(-c4ncc[nH]4)cc23)cc1
InChIInChI=1S/C18H12F2N4/c19-13-4-1-11(2-5-13)3-6-16-14-9-12(18-21-7-8-22-18)10-15(20)17(14)24-23-16/h1-10H,(H,21,22)(H,23,24)
InChIKeyWAESDQXSZWKPQG-UHFFFAOYSA-N
XLogP4.40
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole?
The IUPAC name of 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole (CID 68932417) is 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole.
What is the SMILES notation for 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole?
The canonical SMILES for 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole is Fc1ccc(C=Cc2[nH]nc3c(F)cc(-c4ncc[nH]4)cc23)cc1.
What is the InChIKey of 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole?
The InChIKey is WAESDQXSZWKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4/c19-13-4-1-11(2-5-13)3-6-16-14-9-12(18-21-7-8-22-18)10-15(20)17(14)24-23-16/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole?
7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole has a molecular weight of 322.32 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-(4-fluorophenyl)ethenyl]-5-(1H-imidazol-2-yl)-2H-indazole is sourced from PubChem (CID 68932417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).