Basic information
- Standard SMILES
Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(NC(=O)NCCN4CCOCC4)c3)ccc21- InChIKey
XMRRXWGSDMSRTM-UHFFFAOYSA-N- Molecular formula
- C30H37N7O3
- Average molar mass
- 543.7 g/mol
Names & identifiers
- Preferred name
- n-[4-({2-[(3-Tert-butylphenyl)amino]-1-methyl-1h-benzimidazol-5-yl}oxy)pyridin-2-yl]-n'-(2-morpholin-4-ylethyl)urea
- IUPAC
- 1-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(2-morpholin-4-ylethyl)urea
Names & synonyms
SCHEMBL4322526XMRRXWGSDMSRTM-UHFFFAOYSA-Nn-[4-({2-[(3 -tert-butylphenyl)amino]-1-methyl-1h-benzimidazol-5-yl}oxy)pyridin-2-yl]-n'-(2-morpholin-4-ylethyl)urean-[4-({2-[(3-tert-butylphenyl)amino]-1-methyl-1h-benzimidazol-5-yl}oxy)pyridin-2-yl]-n'-(2-morpholin-4-ylethyl)urea
Database identifiers
- PubChem CID
- 59790199
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 805
Related reactions
2 records
Compound notes
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