2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone

C17H13N3OS — CID 2368552

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13N3OS/c21-16(12-9-18-13-6-2-1-5-11(12)13)10-22-17-19-14-7-3-4-8-15(14)20-17/h1-9,18H,10H2,(H,19,20)
InChIKeyQSCOGWSEJDVUPQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.02
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone (PubChem CID 2368552) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone
PubChem CID2368552
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13N3OS/c21-16(12-9-18-13-6-2-1-5-11(12)13)10-22-17-19-14-7-3-4-8-15(14)20-17/h1-9,18H,10H2,(H,19,20)
InChIKeyQSCOGWSEJDVUPQ-UHFFFAOYSA-N
XLogP4.02
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone (CID 2368552) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is QSCOGWSEJDVUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16(12-9-18-13-6-2-1-5-11(12)13)10-22-17-19-14-7-3-4-8-15(14)20-17/h1-9,18H,10H2,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone has a molecular weight of 307.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 2368552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).