1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone

C18H15N3OS — CID 2522847

IUPAC1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
SMILESCc1ccc2nc(SCC(=O)c3c[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C18H15N3OS/c1-11-6-7-15-16(8-11)21-18(20-15)23-10-17(22)13-9-19-14-5-3-2-4-12(13)14/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyDRJGBVALFYXKJO-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.33
Rot. Bonds4

About 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone

1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone (PubChem CID 2522847) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
PubChem CID2522847
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
SMILESCc1ccc2nc(SCC(=O)c3c[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C18H15N3OS/c1-11-6-7-15-16(8-11)21-18(20-15)23-10-17(22)13-9-19-14-5-3-2-4-12(13)14/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyDRJGBVALFYXKJO-UHFFFAOYSA-N
XLogP4.33
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone (CID 2522847) is 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone is Cc1ccc2nc(SCC(=O)c3c[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone?
The InChIKey is DRJGBVALFYXKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11-6-7-15-16(8-11)21-18(20-15)23-10-17(22)13-9-19-14-5-3-2-4-12(13)14/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone?
1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone has a molecular weight of 321.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 2522847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).