5-(1H-Pyrrol-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione

C₁₁H₉N₃SCAS 172152-53-3215.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₉N₃S
Molar mass: 215.27 g/mol
Exact mass: 215.0517 Da
logP: 3.02Crippen estimate
Polar surface area: 36.5 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

172152-53-3

SMILES

C1=CN(C=C1)C2=CC3=C(C=C2)NC(=S)N3

InChIKey

YYXGYVYKGRUILQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H9N3S/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-7H,(H2,12,13,15)

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Names and synonyms

1 names

5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole

Work with 5-(1H-Pyrrol-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Mercapto-5-benzimidazolecarboxylic acid58089-25-140 % similar 1-(3-Bromophenyl)-1H-pyrrole107302-22-736 % similar 3-(1H-Pyrrol-1-yl)aniline89353-42-436 % similar 1-Phenylpyrrole635-90-535 % similar 1-(4-Chlorophenyl)-1H-pyrrole5044-38-235 % similar N-(4-Fluorophenyl)pyrrole81329-31-935 % similar 6-Chloro-5-fluorobenzimidazole-2-thiol142313-30-233 % similar Methyl-2-mercaptobenzimidazole53988-10-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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