1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-3-(2,6-dimethylphenyl)urea
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Basic information
- CAS
606091-00-3- Standard SMILES
Cc1cccc(C)c1NC(=O)N(CCc1nc2ccccc2[nH]1)C1CCCCC1- InChIKey
JXTHVBNJWNUJQH-UHFFFAOYSA-N- Molecular formula
- C24H30N4O
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-3-(2,6-dimethylphenyl)urea
- IUPAC
- 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-3-(2,6-dimethylphenyl)urea
- English name
- Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(2,6-dimethylphenyl)- (9CI)
- Molecular formula
- C24H30N4O
- Molecular weight
- 390.52
Names & synonyms
AKOS000760118Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N'-(2,6-dimethylphenyl)-Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(2,6-dimethylphenyl)- (9CI)
Database identifiers
- CAS
606091-00-3
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Boiling point
- 656.062 · 656.062±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.193 · 1.193±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.837 · 11.837±0.10(predicted)
Related reactions
0 records
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Compound notes
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