6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one
C148H126F5N23O15 — CID 158972474
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one
SMILESCC(F)(F)c1cccc(N2C=Cc3nc(COc4ccc(F)cc4)cn3C2)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(N2CCc3nc(COc4ccccc4)cn3C2=O)cc1.Cn1ccc2nc(COc3ccccc3)cn2c1=O.O=C1CC=Cc2nc(COc3ccccc3)cn21.O=c1n(-c2cccc(F)c2)ccc2nc(COc3ccccc3)cn12.O=c1n(Cc2ccccc2)ccc2nc(COc3ccccc3)cn12
InChIInChI=1S/C21H18F3N3O.C20H16FN3O2.C20H19N3O2.2C20H17N3O2.C19H14FN3O2.C14H13N3O2.C14H12N2O2/c1-21(23,24)15-3-2-4-18(11-15)26-10-9-20-25-17(12-27(20)14-26)13-28-19-7-5-16(22)6-8-19;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;2*1-15-7-9-17(10-8-15)22-12-11-19-21-16(13-23(19)20(22)24)14-25-18-5-3-2-4-6-18;24-20-22(13-16-7-3-1-4-8-16)12-11-19-21-17(14-23(19)20)15-25-18-9-5-2-6-10-18;20-14-5-4-6-16(11-14)22-10-9-18-21-15(12-23(18)19(22)24)13-25-17-7-2-1-3-8-17;1-16-8-7-13-15-11(9-17(13)14(16)18)10-19-12-5-3-2-4-6-12;17-14-8-4-7-13-15-11(9-16(13)14)10-18-12-5-2-1-3-6-12/h2-12H,13-14H2,1H3;2-12H,13H2,1H3;2-10,13H,11-12,14H2,1H3;2-13H,14H2,1H3;1-12,14H,13,15H2;1-12H,13H2;2-9H,10H2,1H3;1-7,9H,8,10H2
InChIKeyJNZGWOPUSQCQSM-UHFFFAOYSA-N
MW2561.77 g/mol
LogP26.30
Rot. Bonds32
About 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one
6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one (PubChem CID 158972474) has the molecular formula C148H126F5N23O15 and a molecular weight of 2561.77 g/mol. Its IUPAC name is 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one.
Molecular Properties
| Compound Name | 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one |
|---|---|
| PubChem CID | 158972474 |
| Molecular Formula | C148H126F5N23O15 |
| Molecular Weight | 2561.77 g/mol |
| Exact Mass | 2559.97 |
| IUPAC Name | 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one |
| SMILES | CC(F)(F)c1cccc(N2C=Cc3nc(COc4ccc(F)cc4)cn3C2)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(N2CCc3nc(COc4ccccc4)cn3C2=O)cc1.Cn1ccc2nc(COc3ccccc3)cn2c1=O.O=C1CC=Cc2nc(COc3ccccc3)cn21.O=c1n(-c2cccc(F)c2)ccc2nc(COc3ccccc3)cn12.O=c1n(Cc2ccccc2)ccc2nc(COc3ccccc3)cn12 |
| InChI | InChI=1S/C21H18F3N3O.C20H16FN3O2.C20H19N3O2.2C20H17N3O2.C19H14FN3O2.C14H13N3O2.C14H12N2O2/c1-21(23,24)15-3-2-4-18(11-15)26-10-9-20-25-17(12-27(20)14-26)13-28-19-7-5-16(22)6-8-19;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;2*1-15-7-9-17(10-8-15)22-12-11-19-21-16(13-23(19)20(22)24)14-25-18-5-3-2-4-6-18;24-20-22(13-16-7-3-1-4-8-16)12-11-19-21-17(14-23(19)20)15-25-18-9-5-2-6-10-18;20-14-5-4-6-16(11-14)22-10-9-18-21-15(12-23(18)19(22)24)13-25-17-7-2-1-3-8-17;1-16-8-7-13-15-11(9-17(13)14(16)18)10-19-12-5-3-2-4-6-12;17-14-8-4-7-13-15-11(9-16(13)14)10-18-12-5-2-1-3-6-12/h2-12H,13-14H2,1H3;2-12H,13H2,1H3;2-10,13H,11-12,14H2,1H3;2-13H,14H2,1H3;1-12,14H,13,15H2;1-12H,13H2;2-9H,10H2,1H3;1-7,9H,8,10H2 |
| InChIKey | JNZGWOPUSQCQSM-UHFFFAOYSA-N |
| XLogP | 26.30 |
| TPSA | 364.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 191 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2561.77 |
| LogP ≤ 5 | 26.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 37 |
Frequently Asked Questions
What is the IUPAC name of 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one (CID 158972474) is 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one is CC(F)(F)c1cccc(N2C=Cc3nc(COc4ccc(F)cc4)cn3C2)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(N2CCc3nc(COc4ccccc4)cn3C2=O)cc1.Cn1ccc2nc(COc3ccccc3)cn2c1=O.O=C1CC=Cc2nc(COc3ccccc3)cn21.O=c1n(-c2cccc(F)c2)ccc2nc(COc3ccccc3)cn12.O=c1n(Cc2ccccc2)ccc2nc(COc3ccccc3)cn12.
What is the InChIKey of 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is JNZGWOPUSQCQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O.C20H16FN3O2.C20H19N3O2.2C20H17N3O2.C19H14FN3O2.C14H13N3O2.C14H12N2O2/c1-21(23,24)15-3-2-4-18(11-15)26-10-9-20-25-17(12-27(20)14-26)13-28-19-7-5-16(22)6-8-19;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;2*1-15-7-9-17(10-8-15)22-12-11-19-21-16(13-23(19)20(22)24)14-25-18-5-3-2-4-6-18;24-20-22(13-16-7-3-1-4-8-16)12-11-19-21-17(14-23(19)20)15-25-18-9-5-2-6-10-18;20-14-5-4-6-16(11-14)22-10-9-18-21-15(12-23(18)19(22)24)13-25-17-7-2-1-3-8-17;1-16-8-7-13-15-11(9-17(13)14(16)18)10-19-12-5-3-2-4-6-12;17-14-8-4-7-13-15-11(9-16(13)14)10-18-12-5-2-1-3-6-12/h2-12H,13-14H2,1H3;2-12H,13H2,1H3;2-10,13H,11-12,14H2,1H3;2-13H,14H2,1H3;1-12,14H,13,15H2;1-12H,13H2;2-9H,10H2,1H3;1-7,9H,8,10H2.
What are the key properties of 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one?
6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 2561.77 g/mol, XLogP of 26.30, 32 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]-5H-imidazo[1,2-c]pyrimidine;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(3-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-(phenoxymethyl)-6H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 158972474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158972474 — identifiers, structure, computed properties (public domain)
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