2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone

C19H18F3N3OS — CID 92767347

IUPAC2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccsc1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)14-1-2-17-16(10-14)23-12-25(17)15-3-6-24(7-4-15)18(26)9-13-5-8-27-11-13/h1-2,5,8,10-12,15H,3-4,6-7,9H2
InChIKeyDGIDDGJQRADCPS-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.52
Rot. Bonds3

About 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone

2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 92767347) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
PubChem CID92767347
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccsc1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)14-1-2-17-16(10-14)23-12-25(17)15-3-6-24(7-4-15)18(26)9-13-5-8-27-11-13/h1-2,5,8,10-12,15H,3-4,6-7,9H2
InChIKeyDGIDDGJQRADCPS-UHFFFAOYSA-N
XLogP4.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (CID 92767347) is 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is O=C(Cc1ccsc1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is DGIDDGJQRADCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c20-19(21,22)14-1-2-17-16(10-14)23-12-25(17)15-3-6-24(7-4-15)18(26)9-13-5-8-27-11-13/h1-2,5,8,10-12,15H,3-4,6-7,9H2.
What are the key properties of 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 393.43 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92767347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).