3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C17H21N5O2S — CID 133358953

IUPAC3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOCCc1nsc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1
InChIInChI=1S/C17H21N5O2S/c1-24-11-8-15-19-17(25-20-15)21-9-6-12(7-10-21)22-14-5-3-2-4-13(14)18-16(22)23/h2-5,12H,6-11H2,1H3,(H,18,23)
InChIKeyMHFMVIUDVJJGHU-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.21
Rot. Bonds5

About 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 133358953) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID133358953
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOCCc1nsc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1
InChIInChI=1S/C17H21N5O2S/c1-24-11-8-15-19-17(25-20-15)21-9-6-12(7-10-21)22-14-5-3-2-4-13(14)18-16(22)23/h2-5,12H,6-11H2,1H3,(H,18,23)
InChIKeyMHFMVIUDVJJGHU-UHFFFAOYSA-N
XLogP2.21
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 133358953) is 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one is COCCc1nsc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1.
What is the InChIKey of 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is MHFMVIUDVJJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-24-11-8-15-19-17(25-20-15)21-9-6-12(7-10-21)22-14-5-3-2-4-13(14)18-16(22)23/h2-5,12H,6-11H2,1H3,(H,18,23).
What are the key properties of 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 359.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 133358953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).