4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one

C21H20N4O3 — CID 70729469

IUPAC4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1=O
InChIInChI=1S/C21H20N4O3/c1-28-18-9-5-4-8-17(18)25-13-12-24(14-19(25)26)21(27)16-7-3-2-6-15(16)20-22-10-11-23-20/h2-11H,12-14H2,1H3,(H,22,23)
InChIKeySOIRNIGFBLMHTM-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.57
Rot. Bonds4

About 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one

4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one (PubChem CID 70729469) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one
PubChem CID70729469
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1=O
InChIInChI=1S/C21H20N4O3/c1-28-18-9-5-4-8-17(18)25-13-12-24(14-19(25)26)21(27)16-7-3-2-6-15(16)20-22-10-11-23-20/h2-11H,12-14H2,1H3,(H,22,23)
InChIKeySOIRNIGFBLMHTM-UHFFFAOYSA-N
XLogP2.57
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one (CID 70729469) is 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one is COc1ccccc1N1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1=O.
What is the InChIKey of 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one?
The InChIKey is SOIRNIGFBLMHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-28-18-9-5-4-8-17(18)25-13-12-24(14-19(25)26)21(27)16-7-3-2-6-15(16)20-22-10-11-23-20/h2-11H,12-14H2,1H3,(H,22,23).
What are the key properties of 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one?
4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one has a molecular weight of 376.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-2-yl)benzoyl]-1-(2-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 70729469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).