2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C25H22F3N5O2 — CID 56960486

IUPAC2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(C(O)c1ccccc1)N1CCN(c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cn2)CC1
InChIInChI=1S/C25H22F3N5O2/c26-25(27,28)18-7-8-19-20(14-18)31-23(30-19)17-6-9-21(29-15-17)32-10-12-33(13-11-32)24(35)22(34)16-4-2-1-3-5-16/h1-9,14-15,22,34H,10-13H2,(H,30,31)
InChIKeyHMIIHZBZGSOZBD-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.03
Rot. Bonds4

About 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone

2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 56960486) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID56960486
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(C(O)c1ccccc1)N1CCN(c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cn2)CC1
InChIInChI=1S/C25H22F3N5O2/c26-25(27,28)18-7-8-19-20(14-18)31-23(30-19)17-6-9-21(29-15-17)32-10-12-33(13-11-32)24(35)22(34)16-4-2-1-3-5-16/h1-9,14-15,22,34H,10-13H2,(H,30,31)
InChIKeyHMIIHZBZGSOZBD-UHFFFAOYSA-N
XLogP4.03
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 56960486) is 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone is O=C(C(O)c1ccccc1)N1CCN(c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cn2)CC1.
What is the InChIKey of 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is HMIIHZBZGSOZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c26-25(27,28)18-7-8-19-20(14-18)31-23(30-19)17-6-9-21(29-15-17)32-10-12-33(13-11-32)24(35)22(34)16-4-2-1-3-5-16/h1-9,14-15,22,34H,10-13H2,(H,30,31).
What are the key properties of 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 481.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56960486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).