2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone

C25H25F3N6O — CID 59564469

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)n1
InChIInChI=1S/C25H25F3N6O/c1-16-13-17(2)34(31-16)15-23(35)33-11-9-32(10-12-33)22-6-4-3-5-19(22)24-29-20-8-7-18(25(26,27)28)14-21(20)30-24/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,30)
InChIKeyVNXHYJHVPDAUHY-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.41
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 59564469) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID59564469
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)n1
InChIInChI=1S/C25H25F3N6O/c1-16-13-17(2)34(31-16)15-23(35)33-11-9-32(10-12-33)22-6-4-3-5-19(22)24-29-20-8-7-18(25(26,27)28)14-21(20)30-24/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,30)
InChIKeyVNXHYJHVPDAUHY-UHFFFAOYSA-N
XLogP4.41
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one
CID 70833974
N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide
CID 59564405
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(5-phenylthiophen-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59564554
3-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-N-methylbenzamide
CID 59564347
1-[4-[2-[4-(dimethylaminosulfanyl)phenyl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 91567556
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(4-ethoxyphenyl)phenyl]piperazin-1-yl]ethanone
CID 59564501
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-ethoxypyrimidin-5-yl)phenyl]piperazin-1-yl]ethanone
CID 59564527
1-[4-[2-[2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 59564464
1-[4-[2-(1,3-benzothiazol-5-yl)phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 68762857
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 90778470
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27007991
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-[methyl(methylidene)-λ4-sulfanyl]pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone
CID 91199354

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone (CID 59564469) is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is VNXHYJHVPDAUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-16-13-17(2)34(31-16)15-23(35)33-11-9-32(10-12-33)22-6-4-3-5-19(22)24-29-20-8-7-18(25(26,27)28)14-21(20)30-24/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,30).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 482.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59564469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).