(1,2-Dimethyl-1H-benzoimidazol-5-yl)-(4-ethoxy-benzyl)-amine
Basic information
- CAS
292052-59-6- Standard SMILES
CCOc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1- InChIKey
VGXKZZJKZUGZQX-UHFFFAOYSA-N- Molecular formula
- C18H21N3O
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.1684623
Names & identifiers
- Preferred name
- (1,2-Dimethyl-1H-benzoimidazol-5-yl)-(4-ethoxy-benzyl)-amine
- IUPAC
- N-[(4-ethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
- English name
- (1,2-DIMETHYL-1H-BENZOIMIDAZOL-5-YL)-(4-ETHOXY-BENZYL)-AMINE
- Molecular formula
- C18H21N3O
- Molecular weight
- 295.38
Names & synonyms
292052-59-6(1,2-Dimethyl-1H-benzoimidazol-5-yl)-(4-ethoxy-benzyl)-amineN-(4-Ethoxybenzyl)-1,2-dimethyl-1H-benzo[d]imidazol-5-amineN-[(4-ethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amineN-(4-ethoxybenzyl)-1,2-dimethyl-1H-benzimidazol-5-amineN-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-1H-1,3-benzodiazol-5-amineMLS000061675Oprea1_185968Oprea1_581451CHEMBL1526507REGID_for_CID_764435DTXSID30354144
Show more names
1H-Benzimidazol-5-amine, N-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-
HMS2302E06N-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-benzoimidazol-5-amineSLA05259STK083910AKOS000301572SMR000070008ST50006183AG-690/12890522
Database identifiers
- CAS
292052-59-6- PubChem CID
- 764435
- DTXSID
DTXSID30354144- ChEMBL
CHEMBL1526507
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Boiling point
- 501 · 501.0±30.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 6.85 · 6.85±0.25(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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