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Basic information
- Standard SMILES
COc1ccc(-n2cc(Cl)cn2)c(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c1- InChIKey
ROCGARKIJZITSN-UHFFFAOYSA-N- Molecular formula
- C25H24ClN7O
- Average molar mass
- 474 g/mol
- Monoisotopic mass
- 473.1730861
Names & identifiers
- Preferred name
- 5-{1-tert-Butyl-2-[2-(4-chloro-pyrazol-1-yl)-5-methoxy-phenyl]-1H-benzimidazol-5-yl}-pyrimidin-2-ylamine
- IUPAC
- 5-[1-tert-butyl-2-[2-(4-chloropyrazol-1-yl)-5-methoxyphenyl]benzimidazol-5-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL1957051ROCGARKIJZITSN-UHFFFAOYSA-N5-{1-tert-Butyl-2-[2-(4-chloro-pyrazol-1-yl)-5-methoxy-phenyl]-1H-benzimidazol-5-yl}-pyrimidin-2-ylamine
Database identifiers
- PubChem CID
- 53236256
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 685
Related reactions
1 records
Compound notes
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