2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide

C26H25FN6O2 — CID 53239985

IUPAC2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide
SMILESNC(=O)Cc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C26H25FN6O2/c27-19-7-5-17(6-8-19)24-25(33(16-31-24)20-9-12-29-13-10-20)21-11-14-30-26(32-21)35-22-4-2-1-3-18(22)15-23(28)34/h1-8,11,14,16,20,29H,9-10,12-13,15H2,(H2,28,34)
InChIKeyIZZFCONHZHYYET-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.89
Rot. Bonds7

About 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide

2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide (PubChem CID 53239985) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide
PubChem CID53239985
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide
SMILESNC(=O)Cc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C26H25FN6O2/c27-19-7-5-17(6-8-19)24-25(33(16-31-24)20-9-12-29-13-10-20)21-11-14-30-26(32-21)35-22-4-2-1-3-18(22)15-23(28)34/h1-8,11,14,16,20,29H,9-10,12-13,15H2,(H2,28,34)
InChIKeyIZZFCONHZHYYET-UHFFFAOYSA-N
XLogP3.89
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide?
The IUPAC name of 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide (CID 53239985) is 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide is NC(=O)Cc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.
What is the InChIKey of 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide?
The InChIKey is IZZFCONHZHYYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c27-19-7-5-17(6-8-19)24-25(33(16-31-24)20-9-12-29-13-10-20)21-11-14-30-26(32-21)35-22-4-2-1-3-18(22)15-23(28)34/h1-8,11,14,16,20,29H,9-10,12-13,15H2,(H2,28,34).
What are the key properties of 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide?
2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 53239985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).