Basic information
- CAS
677343-44-1- Standard SMILES
CCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1- InChIKey
QAHSEJULLHLLNG-UHFFFAOYSA-N- Molecular formula
- C17H19N3OS
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.12488341
Names & identifiers
- Preferred name
- 1H-Imidazol-2-amine, N-[4-[(4-ethoxyphenyl)thio]phenyl]-4,5-dihydro-
- IUPAC
- N-[4-(4-ethoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
Names & synonyms
CHEMBL9552677343-44-11H-Imidazol-2-amine, N-[4-[(4-ethoxyphenyl)thio]phenyl]-4,5-dihydro-SCHEMBL5803719DTXSID00461036BDBM50223861N-{4-[(4-ETHOXYPHENYL)SULFANYL]PHENYL}-4,5-DIHYDRO-1H-IMIDAZOL-2-AMINE
Database identifiers
- CAS
677343-44-1- PubChem CID
- 11278428
- DTXSID
DTXSID00461036- ChEMBL
CHEMBL9552
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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