3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C19H19N5O2S — CID 78819306

IUPAC3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C19H19N5O2S/c25-19-20-14-4-1-2-5-15(14)24(19)13-7-9-23(10-8-13)12-17-21-22-18(26-17)16-6-3-11-27-16/h1-6,11,13H,7-10,12H2,(H,20,25)
InChIKeyFETQYSBRHHFVGR-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.28
Rot. Bonds4

About 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 78819306) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID78819306
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C19H19N5O2S/c25-19-20-14-4-1-2-5-15(14)24(19)13-7-9-23(10-8-13)12-17-21-22-18(26-17)16-6-3-11-27-16/h1-6,11,13H,7-10,12H2,(H,20,25)
InChIKeyFETQYSBRHHFVGR-UHFFFAOYSA-N
XLogP3.28
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 78819306) is 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cccs3)o2)CC1.
What is the InChIKey of 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is FETQYSBRHHFVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-19-20-14-4-1-2-5-15(14)24(19)13-7-9-23(10-8-13)12-17-21-22-18(26-17)16-6-3-11-27-16/h1-6,11,13H,7-10,12H2,(H,20,25).
What are the key properties of 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 381.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 78819306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).