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

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 Name2-[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 CID158432147
Molecular FormulaC102H96Cl2F2N24O4
Molecular Weight1830.96 g/mol
Exact Mass1828.74
IUPAC Name2-[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
XLogP15.63
TPSA268.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001830.96
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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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).