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

C19H18F3N3OS — CID 46081174

IUPAC2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)13-3-4-17-16(10-13)23-12-25(17)14-5-7-24(8-6-14)18(26)11-15-2-1-9-27-15/h1-4,9-10,12,14H,5-8,11H2
InChIKeySGJTWODHGINVRB-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.52
Rot. Bonds3

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

2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 46081174) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
PubChem CID46081174
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)13-3-4-17-16(10-13)23-12-25(17)14-5-7-24(8-6-14)18(26)11-15-2-1-9-27-15/h1-4,9-10,12,14H,5-8,11H2
InChIKeySGJTWODHGINVRB-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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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (CID 46081174) is 2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is O=C(Cc1cccs1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is SGJTWODHGINVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c20-19(21,22)13-3-4-17-16(10-13)23-12-25(17)14-5-7-24(8-6-14)18(26)11-15-2-1-9-27-15/h1-4,9-10,12,14H,5-8,11H2.
What are the key properties of 2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
2-thiophen-2-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-2-yl-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46081174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).