Basic information
- Standard SMILES
Cc1cc2nc(SCc3ccccc3N)[nH]c2cc1C- InChIKey
CPMJIVPZXORLKT-UHFFFAOYSA-N- Molecular formula
- C16H17N3S
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.11431873
Names & identifiers
- Preferred name
- 2-[[(5,6-Dimethyl-1H-benzimidazol-2-yl)thio]methyl]benzenamine
- IUPAC
- 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanylmethyl]aniline
Names & synonyms
SCHEMBL6475945CPMJIVPZXORLKT-UHFFFAOYSA-N2-[[(5,6-Dimethyl-1H-benzimidazol-2-yl)thio]methyl]benzenamine
Database identifiers
- PubChem CID
- 13754136
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Related reactions
3 records
Compound notes
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