Basic information
- CAS
96224-23-6- Standard SMILES
CCn1cnc2c1CCC(N(C)C1CCCC1)C2.O=C(O)/C=C/C(=O)O- InChIKey
VMJSMKHFIVOBOQ-WLHGVMLRSA-N- Molecular formula
- C19H29N3O4
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.21580641
Names & identifiers
- Preferred name
- 1H-Benzimidazole-5-methanamine, 4,5,6,7-tetrahydro-N-cyclopentyl-1-ethyl-, (E)-2-butenedioate (2:3)
- IUPAC
- (E)-but-2-enedioic acid;N-cyclopentyl-1-ethyl-N-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
Names & synonyms
1H-Benzimidazole-5-methanamine, 4,5,6,7-tetrahydro-N-cyclopentyl-1-ethyl-, (E)-2-butenedioate (2:3)96224-23-6RefChem:10578594,5,6,7-Tetrahydro-5-((cyclopentylamino)methyl)-1-ethylbenzimidazole fumarate (2:3)Benzimidazole, 4,5,6,7-tetrahydro-5-((cyclopentylamino)methyl)-1-ethyl-, fumarate (2:3)
Database identifiers
- CAS
96224-23-6- PubChem CID
- 6435548
Properties
Computed structural properties
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…