Basic information
- Standard SMILES
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)NCCCCN)c3ccccc3)ccc21- InChIKey
IJLMRWOLLQJYMX-UHFFFAOYSA-N- Molecular formula
- C30H36N8O2
- Average molar mass
- 540.7 g/mol
Names & identifiers
- Preferred name
- 2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carboxylic acid [2-(4-amino-butylcarbamoyl)-ethyl]phenyl-amide
- IUPAC
- N-[3-(4-aminobutylamino)-3-oxopropyl]-2-[(4-carbamimidoylanilino)methyl]-1-methyl-N-phenylbenzimidazole-5-carboxamide
Names & synonyms
SCHEMBL506578IJLMRWOLLQJYMX-UHFFFAOYSA-N2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carboxylic acid [2-(4-amino-butylcarbamoyl)-ethyl]phenyl-amide2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carboxylic acid[2-(4-amino-butylcarbamoyl)-ethyl]-phenyl-amide
Database identifiers
- PubChem CID
- 53327467
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 827
Related reactions
2 records
Compound notes
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