6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole

C22H17FN4 — CID 135761901

IUPAC6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole
SMILESFc1cccc(C2(c3ccccc3)C=Cc3c(-c4cnc[nH]4)n[nH]c3C2)c1
InChIInChI=1S/C22H17FN4/c23-17-8-4-7-16(11-17)22(15-5-2-1-3-6-15)10-9-18-19(12-22)26-27-21(18)20-13-24-14-25-20/h1-11,13-14H,12H2,(H,24,25)(H,26,27)
InChIKeyGLHTYCYRQVERFO-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.49
Rot. Bonds3

About 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole

6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole (PubChem CID 135761901) has the molecular formula C22H17FN4 and a molecular weight of 356.40 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole
PubChem CID135761901
Molecular FormulaC22H17FN4
Molecular Weight356.40 g/mol
Exact Mass356.14
IUPAC Name6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole
SMILESFc1cccc(C2(c3ccccc3)C=Cc3c(-c4cnc[nH]4)n[nH]c3C2)c1
InChIInChI=1S/C22H17FN4/c23-17-8-4-7-16(11-17)22(15-5-2-1-3-6-15)10-9-18-19(12-22)26-27-21(18)20-13-24-14-25-20/h1-11,13-14H,12H2,(H,24,25)(H,26,27)
InChIKeyGLHTYCYRQVERFO-UHFFFAOYSA-N
XLogP4.49
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole?
The IUPAC name of 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole (CID 135761901) is 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole.
What is the SMILES notation for 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole?
The canonical SMILES for 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole is Fc1cccc(C2(c3ccccc3)C=Cc3c(-c4cnc[nH]4)n[nH]c3C2)c1.
What is the InChIKey of 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole?
The InChIKey is GLHTYCYRQVERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4/c23-17-8-4-7-16(11-17)22(15-5-2-1-3-6-15)10-9-18-19(12-22)26-27-21(18)20-13-24-14-25-20/h1-11,13-14H,12H2,(H,24,25)(H,26,27).
What are the key properties of 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole?
6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole has a molecular weight of 356.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole is sourced from PubChem (CID 135761901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).