1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one

C21H20N4O3 — CID 75420515

IUPAC1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one
SMILESO=C1CN(Cc2ccccc2)C(c2cn[nH]c2-c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C21H20N4O3/c26-19-13-25(12-14-4-2-1-3-5-14)21(23-19)16-11-22-24-20(16)15-6-7-17-18(10-15)28-9-8-27-17/h1-7,10-11,21H,8-9,12-13H2,(H,22,24)(H,23,26)
InChIKeyQYCHVHOIXWJGAM-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.48
Rot. Bonds4

About 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one

1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one (PubChem CID 75420515) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one
PubChem CID75420515
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one
SMILESO=C1CN(Cc2ccccc2)C(c2cn[nH]c2-c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C21H20N4O3/c26-19-13-25(12-14-4-2-1-3-5-14)21(23-19)16-11-22-24-20(16)15-6-7-17-18(10-15)28-9-8-27-17/h1-7,10-11,21H,8-9,12-13H2,(H,22,24)(H,23,26)
InChIKeyQYCHVHOIXWJGAM-UHFFFAOYSA-N
XLogP2.48
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one?
The IUPAC name of 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one (CID 75420515) is 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one.
What is the SMILES notation for 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one?
The canonical SMILES for 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one is O=C1CN(Cc2ccccc2)C(c2cn[nH]c2-c2ccc3c(c2)OCCO3)N1.
What is the InChIKey of 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one?
The InChIKey is QYCHVHOIXWJGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19-13-25(12-14-4-2-1-3-5-14)21(23-19)16-11-22-24-20(16)15-6-7-17-18(10-15)28-9-8-27-17/h1-7,10-11,21H,8-9,12-13H2,(H,22,24)(H,23,26).
What are the key properties of 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one?
1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one has a molecular weight of 376.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]imidazolidin-4-one is sourced from PubChem (CID 75420515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).