1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one

C20H20N4O — CID 23581376

IUPAC1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C20H20N4O/c1-3-23-17-11-10-15(12-18(17)24(4-2)20(23)25)16-13-21-22-19(16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,22)
InChIKeyYYRSAUUXOGSUEV-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.90
Rot. Bonds4

About 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one

1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one (PubChem CID 23581376) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
PubChem CID23581376
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C20H20N4O/c1-3-23-17-11-10-15(12-18(17)24(4-2)20(23)25)16-13-21-22-19(16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,22)
InChIKeyYYRSAUUXOGSUEV-UHFFFAOYSA-N
XLogP3.90
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one (CID 23581376) is 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3ccccc3)ccc21.
What is the InChIKey of 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one?
The InChIKey is YYRSAUUXOGSUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-23-17-11-10-15(12-18(17)24(4-2)20(23)25)16-13-21-22-19(16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one?
1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one has a molecular weight of 332.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-(5-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one is sourced from PubChem (CID 23581376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).