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

C19H17N3OS — CID 2424622

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2nc(SCC(=O)c3c(C)[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C19H17N3OS/c1-11-7-8-15-16(9-11)22-19(21-15)24-10-17(23)18-12(2)20-14-6-4-3-5-13(14)18/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyOLATYNREAIJLCC-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.64
Rot. Bonds4

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

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 2424622) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID2424622
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2nc(SCC(=O)c3c(C)[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C19H17N3OS/c1-11-7-8-15-16(9-11)22-19(21-15)24-10-17(23)18-12(2)20-14-6-4-3-5-13(14)18/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyOLATYNREAIJLCC-UHFFFAOYSA-N
XLogP4.64
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 2424622) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1ccc2nc(SCC(=O)c3c(C)[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is OLATYNREAIJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-11-7-8-15-16(9-11)22-19(21-15)24-10-17(23)18-12(2)20-14-6-4-3-5-13(14)18/h3-9,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 335.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 2424622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).