2-N-[(4-methoxyphenyl)methyl]-5-N,1-dimethyl-5-N-[2-[4-(1-methylsulfonylethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine
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Basic information
- Standard SMILES
COc1ccc(CNc2nc3cc(N(C)c4ccnc(Nc5ccc(C(C)S(C)(=O)=O)cc5)n4)ccc3n2C)cc1- InChIKey
YIVNZELPYQRBKJ-UHFFFAOYSA-N- Molecular formula
- C30H33N7O3S
- Average molar mass
- 571.7 g/mol
Names & identifiers
- Preferred name
- 2-N-[(4-methoxyphenyl)methyl]-5-N,1-dimethyl-5-N-[2-[4-(1-methylsulfonylethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine
- IUPAC
- 2-N-[(4-methoxyphenyl)methyl]-5-N,1-dimethyl-5-N-[2-[4-(1-methylsulfonylethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine
Names & synonyms
SCHEMBL14263419
Database identifiers
- PubChem CID
- 10240112
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 920
Related reactions
1 records
Compound notes
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