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

C16H12N4O — CID 664409

IUPAC2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H12N4O/c21-15-10-14(11-6-2-1-3-7-11)19-20(15)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18)
InChIKeyZQVWBWDSXXBVDK-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.71
Rot. Bonds2

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

2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 664409) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one
PubChem CID664409
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH]n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H12N4O/c21-15-10-14(11-6-2-1-3-7-11)19-20(15)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18)
InChIKeyZQVWBWDSXXBVDK-UHFFFAOYSA-N
XLogP2.71
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.71
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-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one (CID 664409) is 2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one is O=c1cc(-c2ccccc2)[nH]n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is ZQVWBWDSXXBVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-15-10-14(11-6-2-1-3-7-11)19-20(15)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one?
2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one has a molecular weight of 276.30 g/mol, XLogP of 2.71, 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-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 664409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).