Basic information
- CAS
15451-95-3- Standard SMILES
CCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3n2CCN(CC)CC)cc1- InChIKey
DXZJIJFYRSOFHS-UHFFFAOYSA-N- Molecular formula
- C22H30N4O3S
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.20386201
Names & identifiers
- Preferred name
- Benzimidazole, 1-(2-(diethylamino)ethyl)-5-(methylsulfonyl)-2-p-phenetidino-
- IUPAC
- 1-[2-(diethylamino)ethyl]-N-(4-ethoxyphenyl)-5-methylsulfonylbenzimidazol-2-amine
Names & synonyms
BRN 0946155BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-5-(METHYLSULFONYL)-2-p-PHENETIDINO-15451-95-3DTXSID101656541-(2-(Diethylamino)ethyl)-5-(methylsulfonyl)-2-p-phenetidinobenzimidazole5-25-13-00105 (Beilstein Handbook Reference)RefChem:325808DTXCID80881451-[2-(Diethylamino)ethyl]-N-(4-ethoxyphenyl)-5-(methanesulfonyl)-1H-1,3-benzimidazol-2-amine
Database identifiers
- CAS
15451-95-3- PubChem CID
- 27294
- DTXSID
DTXSID10165654
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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