Basic information
- CAS
117651-72-6- Standard SMILES
CCn1c(=N)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21.Cl- InChIKey
FTEIVTKZFNUTSF-UHFFFAOYSA-N- Molecular formula
- C21H29ClN4O
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.2029893
Names & identifiers
- Preferred name
- N-(Adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1)
- IUPAC
- N-(1-adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide;hydrochloride
Names & synonyms
117651-72-6DTXSID40922499N-(Adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1)RefChem:1091388DTXCID0013513831-Ethyl-2-iminobenzimidazoline-3-acetic acid N-adamantylamide hydrochloride1H-Benzimidazole-1-acetamide, 2,3-dihydro-3-ethyl-2-imino-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, monohydrochlorideN-(Adamantan-1-yl)(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
117651-72-6- PubChem CID
- 64593
- DTXSID
DTXSID40922499
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…