1-[[1-(2-Methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole

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Basic information

Standard SMILES: CS(=O)(=O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIKey: OFSKGFJEDFZSSW-UHFFFAOYSA-N
Molecular formula: C17H17N5O2S
Average molar mass: 355.4 g/mol

Names & identifiers

Preferred name: 1-[[1-(2-Methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole
IUPAC: 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole

Names & synonyms

CHEMBL67044SCHEMBL5858779OFSKGFJEDFZSSW-UHFFFAOYSA-N1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole1-[1-(2-Methylsulfonyl-ethyl)-1H-benzimidazol-2-ylmethyl]-1H-benzotriazole1H-1,2,3-Benzotriazole, 1-[[1-[2-(methylsulfonyl)ethyl]-1H-benzimidazol-2-yl]methyl]-

Database identifiers

PubChem CID: 5272017
ChEMBL: CHEMBL67044

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 91.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 566

Related reactions

3 records

New reaction record

HRID 307715As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1072010As productuspto-grants-2005_06

HRID 1796120As productuspto-grants-2006_04

Compound notes

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