2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone

C105H102F4N24O9 — CID 159124366

IUPAC2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)cc1.COc1ccc(-c2cn(-c3ccccc3)c(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)cc1.COc1ccc(-c2cn(-c3ccccc3)c(CC(=O)N3CCN(c4ncc(OC)cn4)CC3)n2)cc1.COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1
InChIInChI=1S/C27H28N6O3.C26H24F2N6O2.2C26H25FN6O2/c1-35-22-10-8-20(9-11-22)24-19-33(21-6-4-3-5-7-21)25(30-24)16-26(34)31-12-14-32(15-13-31)27-28-17-23(36-2)18-29-27;1-36-22-8-2-18(3-9-22)23-17-34(21-6-4-19(27)5-7-21)24(31-23)14-25(35)32-10-12-33(13-11-32)26-29-15-20(28)16-30-26;1-35-22-5-2-4-19(16-22)23-18-33(21-8-6-20(27)7-9-21)24(30-23)17-25(34)31-12-14-32(15-13-31)26-28-10-3-11-29-26;1-35-22-9-7-19(8-10-22)23-18-33(21-5-3-2-4-6-21)24(30-23)15-25(34)31-11-13-32(14-12-31)26-28-16-20(27)17-29-26/h3-11,17-19H,12-16H2,1-2H3;2-9,15-17H,10-14H2,1H3;2-11,16,18H,12-15,17H2,1H3;2-10,16-18H,11-15H2,1H3
InChIKeyKGCFWCZYCGLNHP-UHFFFAOYSA-N
MW1920.12 g/mol
LogP13.48
Rot. Bonds25

About 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone

2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 159124366) has the molecular formula C105H102F4N24O9 and a molecular weight of 1920.12 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID159124366
Molecular FormulaC105H102F4N24O9
Molecular Weight1920.12 g/mol
Exact Mass1918.82
IUPAC Name2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)cc1.COc1ccc(-c2cn(-c3ccccc3)c(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)cc1.COc1ccc(-c2cn(-c3ccccc3)c(CC(=O)N3CCN(c4ncc(OC)cn4)CC3)n2)cc1.COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1
InChIInChI=1S/C27H28N6O3.C26H24F2N6O2.2C26H25FN6O2/c1-35-22-10-8-20(9-11-22)24-19-33(21-6-4-3-5-7-21)25(30-24)16-26(34)31-12-14-32(15-13-31)27-28-17-23(36-2)18-29-27;1-36-22-8-2-18(3-9-22)23-17-34(21-6-4-19(27)5-7-21)24(31-23)14-25(35)32-10-12-33(13-11-32)26-29-15-20(28)16-30-26;1-35-22-5-2-4-19(16-22)23-18-33(21-8-6-20(27)7-9-21)24(30-23)17-25(34)31-12-14-32(15-13-31)26-28-10-3-11-29-26;1-35-22-9-7-19(8-10-22)23-18-33(21-5-3-2-4-6-21)24(30-23)15-25(34)31-11-13-32(14-12-31)26-28-16-20(27)17-29-26/h3-11,17-19H,12-16H2,1-2H3;2-9,15-17H,10-14H2,1H3;2-11,16,18H,12-15,17H2,1H3;2-10,16-18H,11-15H2,1H3
InChIKeyKGCFWCZYCGLNHP-UHFFFAOYSA-N
XLogP13.48
TPSA314.75 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms142
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.12
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (CID 159124366) is 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)cc1.COc1ccc(-c2cn(-c3ccccc3)c(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)cc1.COc1ccc(-c2cn(-c3ccccc3)c(CC(=O)N3CCN(c4ncc(OC)cn4)CC3)n2)cc1.COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is KGCFWCZYCGLNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3.C26H24F2N6O2.2C26H25FN6O2/c1-35-22-10-8-20(9-11-22)24-19-33(21-6-4-3-5-7-21)25(30-24)16-26(34)31-12-14-32(15-13-31)27-28-17-23(36-2)18-29-27;1-36-22-8-2-18(3-9-22)23-17-34(21-6-4-19(27)5-7-21)24(31-23)14-25(35)32-10-12-33(13-11-32)26-29-15-20(28)16-30-26;1-35-22-5-2-4-19(16-22)23-18-33(21-8-6-20(27)7-9-21)24(30-23)17-25(34)31-12-14-32(15-13-31)26-28-10-3-11-29-26;1-35-22-9-7-19(8-10-22)23-18-33(21-5-3-2-4-6-21)24(30-23)15-25(34)31-11-13-32(14-12-31)26-28-16-20(27)17-29-26/h3-11,17-19H,12-16H2,1-2H3;2-9,15-17H,10-14H2,1H3;2-11,16,18H,12-15,17H2,1H3;2-10,16-18H,11-15H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 1920.12 g/mol, XLogP of 13.48, 25 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]ethanone;2-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 159124366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).