1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one

C15H13N3OS — CID 6487442

IUPAC1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one
SMILESCC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C15H13N3OS/c1-10(19)9-20-14-7-6-11(8-16-14)15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLBQUVUFDOIUCSV-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.31
Rot. Bonds4

About 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one

1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one (PubChem CID 6487442) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one
PubChem CID6487442
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one
SMILESCC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C15H13N3OS/c1-10(19)9-20-14-7-6-11(8-16-14)15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLBQUVUFDOIUCSV-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one?
The IUPAC name of 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one (CID 6487442) is 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one.
What is the SMILES notation for 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one?
The canonical SMILES for 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one is CC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1.
What is the InChIKey of 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one?
The InChIKey is LBQUVUFDOIUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10(19)9-20-14-7-6-11(8-16-14)15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one?
1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one has a molecular weight of 283.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]propan-2-one is sourced from PubChem (CID 6487442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).