5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

C23H18N2O2 — CID 555463

IUPAC5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C23H18N2O2/c26-22(18-14-8-3-9-15-18)19-20(16-10-4-1-5-11-16)24-23(27)25-21(19)17-12-6-2-7-13-17/h1-15,20H,(H2,24,25,27)
InChIKeyKOBQZTXEIHUDQO-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.33
Rot. Bonds4

About 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 555463) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID555463
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C23H18N2O2/c26-22(18-14-8-3-9-15-18)19-20(16-10-4-1-5-11-16)24-23(27)25-21(19)17-12-6-2-7-13-17/h1-15,20H,(H2,24,25,27)
InChIKeyKOBQZTXEIHUDQO-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 555463) is 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)C(c2ccccc2)N1.
What is the InChIKey of 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is KOBQZTXEIHUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-22(18-14-8-3-9-15-18)19-20(16-10-4-1-5-11-16)24-23(27)25-21(19)17-12-6-2-7-13-17/h1-15,20H,(H2,24,25,27).
What are the key properties of 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 555463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).