2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
C102H96Cl2F2N24O4 — CID 158432147
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)ccc1Cl.Cc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1.O=C(Cn1cc(-c2ccc(F)c(Cl)c2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1.O=C(Cn1cc(-c2cccc(F)c2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C26H25ClN6O.C26H26N6O.C25H22ClFN6O.C25H23FN6O/c1-19-16-21(8-9-22(19)27)23-17-33(25(30-23)20-6-3-2-4-7-20)18-24(34)31-12-14-32(15-13-31)26-28-10-5-11-29-26;1-20-8-10-21(11-9-20)23-18-32(25(29-23)22-6-3-2-4-7-22)19-24(33)30-14-16-31(17-15-30)26-27-12-5-13-28-26;26-20-15-19(7-8-21(20)27)22-16-33(24(30-22)18-5-2-1-3-6-18)17-23(34)31-11-13-32(14-12-31)25-28-9-4-10-29-25;26-21-9-4-8-20(16-21)22-17-32(24(29-22)19-6-2-1-3-7-19)18-23(33)30-12-14-31(15-13-30)25-27-10-5-11-28-25/h2-11,16-17H,12-15,18H2,1H3;2-13,18H,14-17,19H2,1H3;1-10,15-16H,11-14,17H2;1-11,16-17H,12-15,18H2
InChIKeyHBUANWQIXWCHEU-UHFFFAOYSA-N
MW1830.96 g/mol
LogP15.63
Rot. Bonds20
About 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 158432147) has the molecular formula C102H96Cl2F2N24O4 and a molecular weight of 1830.96 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
Molecular Properties
| Compound Name | 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone |
|---|---|
| PubChem CID | 158432147 |
| Molecular Formula | C102H96Cl2F2N24O4 |
| Molecular Weight | 1830.96 g/mol |
| Exact Mass | 1828.74 |
| IUPAC Name | 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone |
| SMILES | Cc1cc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)ccc1Cl.Cc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1.O=C(Cn1cc(-c2ccc(F)c(Cl)c2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1.O=C(Cn1cc(-c2cccc(F)c2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1 |
| InChI | InChI=1S/C26H25ClN6O.C26H26N6O.C25H22ClFN6O.C25H23FN6O/c1-19-16-21(8-9-22(19)27)23-17-33(25(30-23)20-6-3-2-4-7-20)18-24(34)31-12-14-32(15-13-31)26-28-10-5-11-29-26;1-20-8-10-21(11-9-20)23-18-32(25(29-23)22-6-3-2-4-7-22)19-24(33)30-14-16-31(17-15-30)26-27-12-5-13-28-26;26-20-15-19(7-8-21(20)27)22-16-33(24(30-22)18-5-2-1-3-6-18)17-23(34)31-11-13-32(14-12-31)25-28-9-4-10-29-25;26-21-9-4-8-20(16-21)22-17-32(24(29-22)19-6-2-1-3-7-19)18-23(33)30-12-14-31(15-13-30)25-27-10-5-11-28-25/h2-11,16-17H,12-15,18H2,1H3;2-13,18H,14-17,19H2,1H3;1-10,15-16H,11-14,17H2;1-11,16-17H,12-15,18H2 |
| InChIKey | HBUANWQIXWCHEU-UHFFFAOYSA-N |
| XLogP | 15.63 |
| TPSA | 268.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 134 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1830.96 |
| LogP ≤ 5 | 15.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 158432147) is 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1cc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)ccc1Cl.Cc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1.O=C(Cn1cc(-c2ccc(F)c(Cl)c2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1.O=C(Cn1cc(-c2cccc(F)c2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is HBUANWQIXWCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O.C26H26N6O.C25H22ClFN6O.C25H23FN6O/c1-19-16-21(8-9-22(19)27)23-17-33(25(30-23)20-6-3-2-4-7-20)18-24(34)31-12-14-32(15-13-31)26-28-10-5-11-29-26;1-20-8-10-21(11-9-20)23-18-32(25(29-23)22-6-3-2-4-7-22)19-24(33)30-14-16-31(17-15-30)26-27-12-5-13-28-26;26-20-15-19(7-8-21(20)27)22-16-33(24(30-22)18-5-2-1-3-6-18)17-23(34)31-11-13-32(14-12-31)25-28-9-4-10-29-25;26-21-9-4-8-20(16-21)22-17-32(24(29-22)19-6-2-1-3-7-19)18-23(33)30-12-14-31(15-13-30)25-27-10-5-11-28-25/h2-11,16-17H,12-15,18H2,1H3;2-13,18H,14-17,19H2,1H3;1-10,15-16H,11-14,17H2;1-11,16-17H,12-15,18H2.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1830.96 g/mol, XLogP of 15.63, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-chloro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 158432147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158432147 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.