2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone

C19H20N4OS — CID 654786

IUPAC2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C19H20N4OS/c24-17(23-11-4-1-5-12-23)13-25-19-14(7-6-10-20-19)18-21-15-8-2-3-9-16(15)22-18/h2-3,6-10H,1,4-5,11-13H2,(H,21,22)
InChIKeyGMNBZMJVAZQYMU-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.73
Rot. Bonds4

About 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone

2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 654786) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone
PubChem CID654786
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C19H20N4OS/c24-17(23-11-4-1-5-12-23)13-25-19-14(7-6-10-20-19)18-21-15-8-2-3-9-16(15)22-18/h2-3,6-10H,1,4-5,11-13H2,(H,21,22)
InChIKeyGMNBZMJVAZQYMU-UHFFFAOYSA-N
XLogP3.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone (CID 654786) is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone is O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCCCC1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is GMNBZMJVAZQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-17(23-11-4-1-5-12-23)13-25-19-14(7-6-10-20-19)18-21-15-8-2-3-9-16(15)22-18/h2-3,6-10H,1,4-5,11-13H2,(H,21,22).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone?
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 352.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 654786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).