1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione

C25H26F3N3O2S — CID 3766215

IUPAC1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCC(c2nccn2Cc2ccccc2C(F)(F)F)CC1)c1cccs1
InChIInChI=1S/C25H26F3N3O2S/c26-25(27,28)20-6-2-1-5-19(20)17-31-15-12-29-24(31)18-10-13-30(14-11-18)23(33)9-3-7-21(32)22-8-4-16-34-22/h1-2,4-6,8,12,15-16,18H,3,7,9-11,13-14,17H2
InChIKeySVBMLBCSBDGEGG-UHFFFAOYSA-N
MW489.56 g/mol
LogP5.77
Rot. Bonds8

About 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione

1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione (PubChem CID 3766215) has the molecular formula C25H26F3N3O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione
PubChem CID3766215
Molecular FormulaC25H26F3N3O2S
Molecular Weight489.56 g/mol
Exact Mass489.17
IUPAC Name1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCC(c2nccn2Cc2ccccc2C(F)(F)F)CC1)c1cccs1
InChIInChI=1S/C25H26F3N3O2S/c26-25(27,28)20-6-2-1-5-19(20)17-31-15-12-29-24(31)18-10-13-30(14-11-18)23(33)9-3-7-21(32)22-8-4-16-34-22/h1-2,4-6,8,12,15-16,18H,3,7,9-11,13-14,17H2
InChIKeySVBMLBCSBDGEGG-UHFFFAOYSA-N
XLogP5.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 3600952
(3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3586149
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
(2-methoxy-4-methylsulfanylphenyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3827998
3-(5-nitrofuran-2-yl)-1-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 3812562
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 72866686
4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 4990953
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 72854193
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 52952191
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione?
The IUPAC name of 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione (CID 3766215) is 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione.
What is the SMILES notation for 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione?
The canonical SMILES for 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione is O=C(CCCC(=O)N1CCC(c2nccn2Cc2ccccc2C(F)(F)F)CC1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione?
The InChIKey is SVBMLBCSBDGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S/c26-25(27,28)20-6-2-1-5-19(20)17-31-15-12-29-24(31)18-10-13-30(14-11-18)23(33)9-3-7-21(32)22-8-4-16-34-22/h1-2,4-6,8,12,15-16,18H,3,7,9-11,13-14,17H2.
What are the key properties of 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione?
1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione has a molecular weight of 489.56 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-5-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]pentane-1,5-dione is sourced from PubChem (CID 3766215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).