1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one

C20H15FN4O — CID 17027616

IUPAC1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2c1cnn2-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H15FN4O/c21-14-7-5-12(6-8-14)13-9-18-15(19(26)10-13)11-22-25(18)20-23-16-3-1-2-4-17(16)24-20/h1-8,11,13H,9-10H2,(H,23,24)
InChIKeyUOYBZLOIUKGNSC-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.80
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one

1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 17027616) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID17027616
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2c1cnn2-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H15FN4O/c21-14-7-5-12(6-8-14)13-9-18-15(19(26)10-13)11-22-25(18)20-23-16-3-1-2-4-17(16)24-20/h1-8,11,13H,9-10H2,(H,23,24)
InChIKeyUOYBZLOIUKGNSC-UHFFFAOYSA-N
XLogP3.80
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one (CID 17027616) is 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one is O=C1CC(c2ccc(F)cc2)Cc2c1cnn2-c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is UOYBZLOIUKGNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-14-7-5-12(6-8-14)13-9-18-15(19(26)10-13)11-22-25(18)20-23-16-3-1-2-4-17(16)24-20/h1-8,11,13H,9-10H2,(H,23,24).
What are the key properties of 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one?
1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 346.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 17027616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).