2-[1-(1H-Benzimidazol-2-ylthio)ethyl]-N,N-dimethylbenzenamine

HCID 67904299

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Basic information

CAS: 104524-51-8
Standard SMILES: CC(Sc1nc2ccccc2[nH]1)c1ccccc1N(C)C
InChIKey: OJWKUPSFTGBJTM-UHFFFAOYSA-N
Molecular formula: C17H19N3S
Average molar mass: 297.4 g/mol
Monoisotopic mass: 297.12996879

Names & identifiers

Preferred name: 2-[1-(1H-Benzimidazol-2-ylthio)ethyl]-N,N-dimethylbenzenamine
IUPAC: 2-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-N,N-dimethylaniline

Names & synonyms

SCHEMBL9676986DTXSID9011818782-[1-(1H-Benzimidazol-2-ylthio)ethyl]-N,N-dimethylbenzenamine2-{1-[(1H-Benzimidazol-2-yl)sulfanyl]ethyl}-N,N-dimethylaniline104524-51-8

Database identifiers

CAS: 104524-51-8
PubChem CID: 67904299
DTXSID: DTXSID901181878

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 57.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 336

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