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

C18H15N3OS — CID 947342

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C18H15N3OS/c1-11-17(12-6-2-3-7-13(12)19-11)16(22)10-23-18-20-14-8-4-5-9-15(14)21-18/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyRHZUDNCYNPRDGJ-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.33
Rot. Bonds4

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

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 947342) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID947342
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C18H15N3OS/c1-11-17(12-6-2-3-7-13(12)19-11)16(22)10-23-18-20-14-8-4-5-9-15(14)21-18/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyRHZUDNCYNPRDGJ-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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Related Compounds

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2-[(6-chloro-4H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
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2-(1H-benzimidazol-2-ylsulfanyl)-1-(1H-indol-3-yl)ethanone
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CID 22633548
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CID 22633552
6-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]hexanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone (CID 947342) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is RHZUDNCYNPRDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11-17(12-6-2-3-7-13(12)19-11)16(22)10-23-18-20-14-8-4-5-9-15(14)21-18/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)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 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 947342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).