2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C25H22F2N6O — CID 71599769

IUPAC2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1nc(-c2ccc(F)cc2)cn1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H22F2N6O/c26-19-4-2-18(3-5-19)22-17-33(21-8-6-20(27)7-9-21)23(30-22)16-24(34)31-12-14-32(15-13-31)25-28-10-1-11-29-25/h1-11,17H,12-16H2
InChIKeyXNWIWSUGNJNZIH-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.50
Rot. Bonds5

About 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71599769) has the molecular formula C25H22F2N6O and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71599769
Molecular FormulaC25H22F2N6O
Molecular Weight460.49 g/mol
Exact Mass460.18
IUPAC Name2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1nc(-c2ccc(F)cc2)cn1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H22F2N6O/c26-19-4-2-18(3-5-19)22-17-33(21-8-6-20(27)7-9-21)23(30-22)16-24(34)31-12-14-32(15-13-31)25-28-10-1-11-29-25/h1-11,17H,12-16H2
InChIKeyXNWIWSUGNJNZIH-UHFFFAOYSA-N
XLogP3.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71599853
2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71598710
2-[4-(4-fluoro-3-methylphenyl)-1-phenylimidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71580513
2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
CID 71598708
2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71599086
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone
CID 71603366
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9269371
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
3-(4-fluorophenyl)-4-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 110355854
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
3-(4-fluorophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 112789374
1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione
CID 110298115

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71599769) is 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1nc(-c2ccc(F)cc2)cn1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is XNWIWSUGNJNZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O/c26-19-4-2-18(3-5-19)22-17-33(21-8-6-20(27)7-9-21)23(30-22)16-24(34)31-12-14-32(15-13-31)25-28-10-1-11-29-25/h1-11,17H,12-16H2.
What are the key properties of 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 460.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).