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

C26H25FN6O — CID 71599853

IUPAC2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C26H25FN6O/c1-19-3-5-20(6-4-19)23-18-33(22-9-7-21(27)8-10-22)24(30-23)17-25(34)31-13-15-32(16-14-31)26-28-11-2-12-29-26/h2-12,18H,13-17H2,1H3
InChIKeyAHXDKUQMYFYWFZ-UHFFFAOYSA-N
MW456.53 g/mol
LogP3.67
Rot. Bonds5

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

2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71599853) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71599853
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C26H25FN6O/c1-19-3-5-20(6-4-19)23-18-33(22-9-7-21(27)8-10-22)24(30-23)17-25(34)31-13-15-32(16-14-31)26-28-11-2-12-29-26/h2-12,18H,13-17H2,1H3
InChIKeyAHXDKUQMYFYWFZ-UHFFFAOYSA-N
XLogP3.67
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71599769
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
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 27647685
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-(4-fluorophenyl)-4-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 110355854
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110773513
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9269371
lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate
CID 162309650
2-(4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4803568

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71599853) is 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is AHXDKUQMYFYWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-19-3-5-20(6-4-19)23-18-33(22-9-7-21(27)8-10-22)24(30-23)17-25(34)31-13-15-32(16-14-31)26-28-11-2-12-29-26/h2-12,18H,13-17H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 456.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71599853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).