Basic information
- Standard SMILES
COc1ccncc1NC(=S)Nc1cccc2c1ncn2C- InChIKey
ICMQCRKEVVNEMP-UHFFFAOYSA-N- Molecular formula
- C15H15N5OS
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methoxy-pyridin-3-yl)-3-(1-methyl-1H-benzoimidazol-4-yl)-thiourea
- IUPAC
- 1-(4-methoxy-3-pyridinyl)-3-(1-methylbenzimidazol-4-yl)thiourea
Names & synonyms
SCHEMBL6117719ICMQCRKEVVNEMP-UHFFFAOYSA-N1-(4-Methoxy-pyridin-3-yl)-3-(1-methyl-1H-benzoimidazol-4-yl)-thiourea
Database identifiers
- PubChem CID
- 86665415
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
3 records
Compound notes
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