4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one

C23H14F2N2O — CID 579120

IUPAC4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)c2c([nH]1)-c1ccccc1C2c1ccc(F)cc1
InChIInChI=1S/C23H14F2N2O/c24-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)22-20(19)21(26-23(28)27-22)14-7-11-16(25)12-8-14/h1-12,19H,(H,26,27,28)
InChIKeyPQFXOGVDNPFYGA-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.88
Rot. Bonds2

About 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one

4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one (PubChem CID 579120) has the molecular formula C23H14F2N2O and a molecular weight of 372.37 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
PubChem CID579120
Molecular FormulaC23H14F2N2O
Molecular Weight372.37 g/mol
Exact Mass372.11
IUPAC Name4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)c2c([nH]1)-c1ccccc1C2c1ccc(F)cc1
InChIInChI=1S/C23H14F2N2O/c24-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)22-20(19)21(26-23(28)27-22)14-7-11-16(25)12-8-14/h1-12,19H,(H,26,27,28)
InChIKeyPQFXOGVDNPFYGA-UHFFFAOYSA-N
XLogP4.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The IUPAC name of 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one (CID 579120) is 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one is O=c1nc(-c2ccc(F)cc2)c2c([nH]1)-c1ccccc1C2c1ccc(F)cc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The InChIKey is PQFXOGVDNPFYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N2O/c24-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)22-20(19)21(26-23(28)27-22)14-7-11-16(25)12-8-14/h1-12,19H,(H,26,27,28).
What are the key properties of 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one has a molecular weight of 372.37 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one is sourced from PubChem (CID 579120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).