1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one

C20H20N4O2 — CID 167952871

IUPAC1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one
SMILESCOc1ccc(-n2cccn2)cc1C1NC(=O)CN1Cc1ccccc1
InChIInChI=1S/C20H20N4O2/c1-26-18-9-8-16(24-11-5-10-21-24)12-17(18)20-22-19(25)14-23(20)13-15-6-3-2-4-7-15/h2-12,20H,13-14H2,1H3,(H,22,25)
InChIKeyJSHQSOSIGQCJMZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.51
Rot. Bonds5

About 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one

1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one (PubChem CID 167952871) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one
PubChem CID167952871
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one
SMILESCOc1ccc(-n2cccn2)cc1C1NC(=O)CN1Cc1ccccc1
InChIInChI=1S/C20H20N4O2/c1-26-18-9-8-16(24-11-5-10-21-24)12-17(18)20-22-19(25)14-23(20)13-15-6-3-2-4-7-15/h2-12,20H,13-14H2,1H3,(H,22,25)
InChIKeyJSHQSOSIGQCJMZ-UHFFFAOYSA-N
XLogP2.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one?
The IUPAC name of 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one (CID 167952871) is 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one.
What is the SMILES notation for 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one?
The canonical SMILES for 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one is COc1ccc(-n2cccn2)cc1C1NC(=O)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one?
The InChIKey is JSHQSOSIGQCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-18-9-8-16(24-11-5-10-21-24)12-17(18)20-22-19(25)14-23(20)13-15-6-3-2-4-7-15/h2-12,20H,13-14H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one?
1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one is sourced from PubChem (CID 167952871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).