7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one

C23H21F5N4O2 — CID 118583092

IUPAC7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCN1c2cc(OCc3cc(F)c(Cc4cncc(C(F)(F)F)c4)c(F)c3)nc(=O)n2CC1(C)C
InChIInChI=1S/C23H21F5N4O2/c1-22(2)12-32-20(31(22)3)8-19(30-21(32)33)34-11-14-6-17(24)16(18(25)7-14)5-13-4-15(10-29-9-13)23(26,27)28/h4,6-10H,5,11-12H2,1-3H3
InChIKeyVMTKNHTYAPZCFX-UHFFFAOYSA-N
MW480.44 g/mol
LogP4.33
Rot. Bonds5

About 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one

7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 118583092) has the molecular formula C23H21F5N4O2 and a molecular weight of 480.44 g/mol. Its IUPAC name is 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID118583092
Molecular FormulaC23H21F5N4O2
Molecular Weight480.44 g/mol
Exact Mass480.16
IUPAC Name7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCN1c2cc(OCc3cc(F)c(Cc4cncc(C(F)(F)F)c4)c(F)c3)nc(=O)n2CC1(C)C
InChIInChI=1S/C23H21F5N4O2/c1-22(2)12-32-20(31(22)3)8-19(30-21(32)33)34-11-14-6-17(24)16(18(25)7-14)5-13-4-15(10-29-9-13)23(26,27)28/h4,6-10H,5,11-12H2,1-3H3
InChIKeyVMTKNHTYAPZCFX-UHFFFAOYSA-N
XLogP4.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one (CID 118583092) is 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one is CN1c2cc(OCc3cc(F)c(Cc4cncc(C(F)(F)F)c4)c(F)c3)nc(=O)n2CC1(C)C.
What is the InChIKey of 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is VMTKNHTYAPZCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5N4O2/c1-22(2)12-32-20(31(22)3)8-19(30-21(32)33)34-11-14-6-17(24)16(18(25)7-14)5-13-4-15(10-29-9-13)23(26,27)28/h4,6-10H,5,11-12H2,1-3H3.
What are the key properties of 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 480.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 118583092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).