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

C17H14N4O — CID 7342600

IUPAC5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(Cc2nc3ccccc3[nH]2)[nH]n1-c1ccccc1
InChIInChI=1S/C17H14N4O/c22-17-11-12(20-21(17)13-6-2-1-3-7-13)10-16-18-14-8-4-5-9-15(14)19-16/h1-9,11,20H,10H2,(H,18,19)
InChIKeyVKUQCCDWJVHHOI-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.63
Rot. Bonds3

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

5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 7342600) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID7342600
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(Cc2nc3ccccc3[nH]2)[nH]n1-c1ccccc1
InChIInChI=1S/C17H14N4O/c22-17-11-12(20-21(17)13-6-2-1-3-7-13)10-16-18-14-8-4-5-9-15(14)19-16/h1-9,11,20H,10H2,(H,18,19)
InChIKeyVKUQCCDWJVHHOI-UHFFFAOYSA-N
XLogP2.63
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one (CID 7342600) is 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one is O=c1cc(Cc2nc3ccccc3[nH]2)[nH]n1-c1ccccc1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is VKUQCCDWJVHHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17-11-12(20-21(17)13-6-2-1-3-7-13)10-16-18-14-8-4-5-9-15(14)19-16/h1-9,11,20H,10H2,(H,18,19).
What are the key properties of 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one?
5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 290.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylmethyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 7342600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).