Basic information
- CAS
23280-73-1- Standard SMILES
c1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2c1- InChIKey
VZJQLKDAEBGCCW-UHFFFAOYSA-N- Molecular formula
- C17H20N2
- Average molar mass
- 252.35 g/mol
- Monoisotopic mass
- 252.16264865
Names & identifiers
- Preferred name
- 2-(1-Adamantyl)benzimidazole
- IUPAC
- 2-(1-adamantyl)-1H-benzimidazole
- English name
- 2-(1-adamantyl)benzimidazole
- Molecular formula
- C17H20N2
- Molecular weight
- 252.35
Names & synonyms
23280-73-12-(1-Adamantyl)benzimidazoleDTXSID301778501H-Benzimidazole, 2-tricyclo(3.3.1.13,7)dec-1-yl-1H-Benzimidazole, 2-tricyclo[3.3.1.13,7]dec-1-yl-RefChem:838052-ADBIDTXCID901003412-(1-adamantyl)-1H-benzimidazole2-(Adamantan-1-yl)-1H-benzo[d]imidazole2-(ADAMANTAN-1-YL)-1H-1,3-BENZODIAZOLE2-((3r,5r,7r)-adamantan-1-yl)-1H-benzo[d]imidazole
Show more names
2-[(1s,3R,5S,7s)-adamantan-1-yl]-1H-1,3-benzodiazole2-adamantanylbenzimidazoleBRN 08881022-ADAMANTAN-1-YL-1H-BENZOIMIDAZOLEBenzimidazole, 2-(1-adamantyl)-2-Tricyclo(3.3.1.1(sup 3,7))dec-1-yl-1H-benzimidazoleOprea1_4416855-23-08-00355 (Beilstein Handbook Reference)
Database identifiers
- CAS
23280-73-1- PubChem CID
- 64189
- DTXSID
DTXSID30177850
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 420 °C · 420 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 465.1 · 465.1±14.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.10(Predicted)
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
MATRIX[email protected]
IFLAB-BB[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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