2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C27H28N6O2 — CID 71585718

IUPAC2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCCOc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H28N6O2/c1-2-35-23-11-9-21(10-12-23)24-19-33(26(30-24)22-7-4-3-5-8-22)20-25(34)31-15-17-32(18-16-31)27-28-13-6-14-29-27/h3-14,19H,2,15-18,20H2,1H3
InChIKeyIICIPIWUKKDUKN-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.75
Rot. Bonds7

About 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71585718) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71585718
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCCOc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H28N6O2/c1-2-35-23-11-9-21(10-12-23)24-19-33(26(30-24)22-7-4-3-5-8-22)20-25(34)31-15-17-32(18-16-31)27-28-13-6-14-29-27/h3-14,19H,2,15-18,20H2,1H3
InChIKeyIICIPIWUKKDUKN-UHFFFAOYSA-N
XLogP3.75
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71585718) is 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is CCOc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IICIPIWUKKDUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-2-35-23-11-9-21(10-12-23)24-19-33(26(30-24)22-7-4-3-5-8-22)20-25(34)31-15-17-32(18-16-31)27-28-13-6-14-29-27/h3-14,19H,2,15-18,20H2,1H3.
What are the key properties of 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 468.56 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71585718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).