N-(Adamantan-1-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1)
Basic information
- CAS
117651-71-5- Standard SMILES
Cl.Cn1c(=N)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21- InChIKey
CNJLIKJETFGYER-UHFFFAOYSA-N- Molecular formula
- C20H27ClN4O
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 374.1873392
Names & identifiers
- Preferred name
- N-(Adamantan-1-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1)
- IUPAC
- N-(1-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride
Names & synonyms
117651-71-5DTXSID80922498N-(Adamantan-1-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1)RefChem:1091387DTXCID301351382NSC6464761-Methyl-2-iminobenzimidazoline-3-acetic acid N-adamantylamide hydrochloride1H-Benzimidazole-1-acetamide, 2,3-dihydro-2-imino-3-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, monohydrochloride2,3-Dihydro-2-imino-3-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-1H-benzimidazole-1-acetamide monohydrochlorideNSC-646476N-(Adamantan-1-yl)(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
117651-71-5- PubChem CID
- 64591
- DTXSID
DTXSID80922498
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…