2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C26H25FN6O2 — CID 71599084

IUPAC2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1
InChIInChI=1S/C26H25FN6O2/c1-35-22-5-2-4-19(16-22)23-18-33(21-8-6-20(27)7-9-21)24(30-23)17-25(34)31-12-14-32(15-13-31)26-28-10-3-11-29-26/h2-11,16,18H,12-15,17H2,1H3
InChIKeyZUBXFJYWQBHZHI-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.37
Rot. Bonds6

About 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71599084) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71599084
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1
InChIInChI=1S/C26H25FN6O2/c1-35-22-5-2-4-19(16-22)23-18-33(21-8-6-20(27)7-9-21)24(30-23)17-25(34)31-12-14-32(15-13-31)26-28-10-3-11-29-26/h2-11,16,18H,12-15,17H2,1H3
InChIKeyZUBXFJYWQBHZHI-UHFFFAOYSA-N
XLogP3.37
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71599084) is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ZUBXFJYWQBHZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-35-22-5-2-4-19(16-22)23-18-33(21-8-6-20(27)7-9-21)24(30-23)17-25(34)31-12-14-32(15-13-31)26-28-10-3-11-29-26/h2-11,16,18H,12-15,17H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 472.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71599084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).