Basic information
- CAS
606090-83-9- Standard SMILES
Cc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1C- InChIKey
DKNWCGOMPJJACX-UHFFFAOYSA-N- Molecular formula
- C23H28N4S
- Average molar mass
- 392.6 g/mol
Names & identifiers
- Preferred name
- 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3,4-dimethylphenyl)thiourea
- IUPAC
- 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3,4-dimethylphenyl)thiourea
- English name
- Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(3,4-dimethylphenyl)- (9CI)
- Molecular formula
- C23H28N4S
- Molecular weight
- 392.56
Names & synonyms
AKOS000759000606090-83-9Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N'-(3,4-dimethylphenyl)-Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(3,4-dimethylphenyl)- (9CI)
Database identifiers
- CAS
606090-83-9
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Boiling point
- 600.263 · 600.263±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.23 · 1.230±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.771 · 11.771±0.10(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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