2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one

C16H11FN4O — CID 6463664

IUPAC2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccc(F)cc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11FN4O/c17-11-7-5-10(6-8-11)14-9-15(22)21(20-14)16-18-12-3-1-2-4-13(12)19-16/h1-9,20H,(H,18,19)
InChIKeyFVTIASXPCOIBBQ-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.85
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one (PubChem CID 6463664) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one
PubChem CID6463664
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccc(F)cc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11FN4O/c17-11-7-5-10(6-8-11)14-9-15(22)21(20-14)16-18-12-3-1-2-4-13(12)19-16/h1-9,20H,(H,18,19)
InChIKeyFVTIASXPCOIBBQ-UHFFFAOYSA-N
XLogP2.85
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one (CID 6463664) is 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one is O=c1cc(-c2ccc(F)cc2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one?
The InChIKey is FVTIASXPCOIBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c17-11-7-5-10(6-8-11)14-9-15(22)21(20-14)16-18-12-3-1-2-4-13(12)19-16/h1-9,20H,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one?
2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one has a molecular weight of 294.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 6463664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).