Basic information
- Standard SMILES
CC(C)n1nnnc1CCCn1ccc2cc(NC(=O)c3nc4ccc(Cl)cc4n3Cc3ccccc3)ccc21- InChIKey
FXAZKKOYMWKZAQ-UHFFFAOYSA-N- Molecular formula
- C30H29ClN8O
- Average molar mass
- 553.1 g/mol
- Monoisotopic mass
- 552.2152853
Names & identifiers
- Preferred name
- 1-Benzyl-6-chloro-2-{1-[3-(1-isopropyltetrazol-5-yl)propyl]indol-5-ylaminocarbonyl}benzimidazole
- IUPAC
- 1-benzyl-6-chloro-N-[1-[3-(1-propan-2-yltetrazol-5-yl)propyl]indol-5-yl]benzimidazole-2-carboxamide
Names & synonyms
SCHEMBL7827832FXAZKKOYMWKZAQ-UHFFFAOYSA-N1-benzyl-6-chloro-2-{1-[3-(1-isopropyltetrazol-5-yl)propyl]indol-5-ylaminocarbonyl}benzimidazole
Database identifiers
- PubChem CID
- 19600391
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 843
Related reactions
2 records
Compound notes
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