2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one

C26H22F3N3O2 — CID 138468339

IUPAC2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one
SMILESCc1cc(C2(c3cccc(F)c3)NC3=NCCC(c4ccccc4)N3C2=O)ccc1OC(F)F
InChIInChI=1S/C26H22F3N3O2/c1-16-14-19(10-11-22(16)34-24(28)29)26(18-8-5-9-20(27)15-18)23(33)32-21(12-13-30-25(32)31-26)17-6-3-2-4-7-17/h2-11,14-15,21,24H,12-13H2,1H3,(H,30,31)
InChIKeyFFJRRSCWIYYLHS-UHFFFAOYSA-N
MW465.48 g/mol
LogP4.91
Rot. Bonds5

About 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one

2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one (PubChem CID 138468339) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one
PubChem CID138468339
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one
SMILESCc1cc(C2(c3cccc(F)c3)NC3=NCCC(c4ccccc4)N3C2=O)ccc1OC(F)F
InChIInChI=1S/C26H22F3N3O2/c1-16-14-19(10-11-22(16)34-24(28)29)26(18-8-5-9-20(27)15-18)23(33)32-21(12-13-30-25(32)31-26)17-6-3-2-4-7-17/h2-11,14-15,21,24H,12-13H2,1H3,(H,30,31)
InChIKeyFFJRRSCWIYYLHS-UHFFFAOYSA-N
XLogP4.91
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one?
The IUPAC name of 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one (CID 138468339) is 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one is Cc1cc(C2(c3cccc(F)c3)NC3=NCCC(c4ccccc4)N3C2=O)ccc1OC(F)F.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one?
The InChIKey is FFJRRSCWIYYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-16-14-19(10-11-22(16)34-24(28)29)26(18-8-5-9-20(27)15-18)23(33)32-21(12-13-30-25(32)31-26)17-6-3-2-4-7-17/h2-11,14-15,21,24H,12-13H2,1H3,(H,30,31).
What are the key properties of 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one?
2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one has a molecular weight of 465.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-methylphenyl]-2-(3-fluorophenyl)-5-phenyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-3-one is sourced from PubChem (CID 138468339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).