6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane

C42H36F4N6O4 — CID 158757946

IUPAC6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane
SMILESC.CC(F)(F)c1cccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1
InChIInChI=1S/C21H16F3N3O2.C20H16FN3O2.CH4/c1-21(23,24)14-3-2-4-17(11-14)26-10-9-19-25-16(12-27(19)20(26)28)13-29-18-7-5-15(22)6-8-18;1-14-7-9-16(10-8-14)23-12-18(21)19-22-15(11-24(19)20(23)25)13-26-17-5-3-2-4-6-17;/h2-12H,13H2,1H3;2-12H,13H2,1H3;1H4
InChIKeyIOHOLDFPCWSTTH-UHFFFAOYSA-N
MW764.78 g/mol
LogP8.46
Rot. Bonds9

About 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane

6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane (PubChem CID 158757946) has the molecular formula C42H36F4N6O4 and a molecular weight of 764.78 g/mol. Its IUPAC name is 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane.

Molecular Properties

Compound Name6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane
PubChem CID158757946
Molecular FormulaC42H36F4N6O4
Molecular Weight764.78 g/mol
Exact Mass764.27
IUPAC Name6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane
SMILESC.CC(F)(F)c1cccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1
InChIInChI=1S/C21H16F3N3O2.C20H16FN3O2.CH4/c1-21(23,24)14-3-2-4-17(11-14)26-10-9-19-25-16(12-27(19)20(26)28)13-29-18-7-5-15(22)6-8-18;1-14-7-9-16(10-8-14)23-12-18(21)19-22-15(11-24(19)20(23)25)13-26-17-5-3-2-4-6-17;/h2-12H,13H2,1H3;2-12H,13H2,1H3;1H4
InChIKeyIOHOLDFPCWSTTH-UHFFFAOYSA-N
XLogP8.46
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.78
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane with MolForge

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Related Compounds

2-[(3-Fluorophenoxy)methyl]-6-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-one
CID 66550973
2-(4-fluoro-phenoxymethyl)-6-(4-fluoro-phenyl)-6H-imidazo[1,2-c]pyrimidin-5-one
CID 66550974
6-(4-fluoro-phenyl)-2-m-tolyloxymethyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 66551175
6-(4-fluoro-phenyl)-2-phenoxymethyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290572
6-(4-fluoro-phenyl)-8-methyl-2-phenoxymethyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290770
6-(4-fluoro-phenyl)-2-m-tolyloxymethyl-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68291086
6-(3,4-Difluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
CID 68308463
6-(5-Fluoro-4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
CID 68308471
6-(3-Fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
CID 68309476
6-(4-Fluoro-3-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 89805355
N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 44455773
N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 44455801

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane?
The IUPAC name of 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane (CID 158757946) is 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane.
What is the SMILES notation for 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane?
The canonical SMILES for 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane is C.CC(F)(F)c1cccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1.
What is the InChIKey of 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane?
The InChIKey is IOHOLDFPCWSTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.C20H16FN3O2.CH4/c1-21(23,24)14-3-2-4-17(11-14)26-10-9-19-25-16(12-27(19)20(26)28)13-29-18-7-5-15(22)6-8-18;1-14-7-9-16(10-8-14)23-12-18(21)19-22-15(11-24(19)20(23)25)13-26-17-5-3-2-4-6-17;/h2-12H,13H2,1H3;2-12H,13H2,1H3;1H4.
What are the key properties of 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane?
6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane has a molecular weight of 764.78 g/mol, XLogP of 8.46, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;methane is sourced from PubChem (CID 158757946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).