5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione

C26H20N2O3 — CID 162413109

IUPAC5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione
SMILESO=c1c(-c2cc3ccccc3o2)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C26H20N2O3/c29-25-22(24-15-21-13-7-8-14-23(21)31-24)18-27(16-19-9-3-1-4-10-19)26(30)28(25)17-20-11-5-2-6-12-20/h1-15,18H,16-17H2
InChIKeyMTVJCNDEZATTQV-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.52
Rot. Bonds5

About 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione

5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione (PubChem CID 162413109) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione
PubChem CID162413109
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Name5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione
SMILESO=c1c(-c2cc3ccccc3o2)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C26H20N2O3/c29-25-22(24-15-21-13-7-8-14-23(21)31-24)18-27(16-19-9-3-1-4-10-19)26(30)28(25)17-20-11-5-2-6-12-20/h1-15,18H,16-17H2
InChIKeyMTVJCNDEZATTQV-UHFFFAOYSA-N
XLogP4.52
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione?
The IUPAC name of 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione (CID 162413109) is 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione?
The canonical SMILES for 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione is O=c1c(-c2cc3ccccc3o2)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione?
The InChIKey is MTVJCNDEZATTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c29-25-22(24-15-21-13-7-8-14-23(21)31-24)18-27(16-19-9-3-1-4-10-19)26(30)28(25)17-20-11-5-2-6-12-20/h1-15,18H,16-17H2.
What are the key properties of 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione?
5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione is sourced from PubChem (CID 162413109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).