KB R6933
Basic information
- CAS
148565-09-7- Standard SMILES
CC(C)n1c(N2CCN(C)CC2)nc2cc(Cl)c(N)cc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
ZEYGAOFLBIEQJQ-LVEZLNDCSA-N- Molecular formula
- C23H30ClN5O8
- Average molar mass
- 540 g/mol
- Monoisotopic mass
- 539.1782906
Overview
structure in first source
Names & identifiers
- Preferred name
- KB R6933
- IUPAC
- bis((E)-but-2-enedioic acid);6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine
Names & synonyms
Kb R6933KB-R6933148565-09-7RefChem:1510536-Amino-5-chloro-1-isopropyl-2-(4-methyl-1-piperazinyl)benzimidazole dimaleate1H-Benzimidazol-6-amine, 5-chloro-1-(1-methylethyl)-2-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2)(E)-but-2-enedioic acid;6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine
Database identifiers
- CAS
148565-09-7- PubChem CID
- 6448764
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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