2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone

C26H24F2N6O — CID 71586684

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(-c2cn(CC(=O)N3CCN(c4ncc(F)cn4)CC3)c(-c3ccccc3)n2)ccc1F
InChIInChI=1S/C26H24F2N6O/c1-18-13-20(7-8-22(18)28)23-16-34(25(31-23)19-5-3-2-4-6-19)17-24(35)32-9-11-33(12-10-32)26-29-14-21(27)15-30-26/h2-8,13-16H,9-12,17H2,1H3
InChIKeyWDQGKOLKBWBMAV-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.94
Rot. Bonds5

About 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone

2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 71586684) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID71586684
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(-c2cn(CC(=O)N3CCN(c4ncc(F)cn4)CC3)c(-c3ccccc3)n2)ccc1F
InChIInChI=1S/C26H24F2N6O/c1-18-13-20(7-8-22(18)28)23-16-34(25(31-23)19-5-3-2-4-6-19)17-24(35)32-9-11-33(12-10-32)26-29-14-21(27)15-30-26/h2-8,13-16H,9-12,17H2,1H3
InChIKeyWDQGKOLKBWBMAV-UHFFFAOYSA-N
XLogP3.94
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone (CID 71586684) is 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone is Cc1cc(-c2cn(CC(=O)N3CCN(c4ncc(F)cn4)CC3)c(-c3ccccc3)n2)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is WDQGKOLKBWBMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-18-13-20(7-8-22(18)28)23-16-34(25(31-23)19-5-3-2-4-6-19)17-24(35)32-9-11-33(12-10-32)26-29-14-21(27)15-30-26/h2-8,13-16H,9-12,17H2,1H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 474.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71586684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).